N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide

C54H79N15O7 — CID 161003056

IUPACN-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide
SMILESCC(=O)N(C)Cc1ccc(N)nc1.CC(=O)N(Cc1ccc(N)nc1)CC1CCOCC1.CC(=O)N(Cc1ccc(N)nc1)C[C@H]1CCCO1.CC(=O)NCCCc1ccc(N)nc1.CC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C14H21N3O2.C13H19N3O2.C10H15N3O.C9H13N3O.C8H11N3O/c1-11(18)17(9-12-4-6-19-7-5-12)10-13-2-3-14(15)16-8-13;1-10(17)16(9-12-3-2-6-18-12)8-11-4-5-13(14)15-7-11;1-8(14)12-6-2-3-9-4-5-10(11)13-7-9;1-7(13)12(2)6-8-3-4-9(10)11-5-8;1-6(12)10-4-7-2-3-8(9)11-5-7/h2-3,8,12H,4-7,9-10H2,1H3,(H2,15,16);4-5,7,12H,2-3,6,8-9H2,1H3,(H2,14,15);4-5,7H,2-3,6H2,1H3,(H2,11,13)(H,12,14);3-5H,6H2,1-2H3,(H2,10,11);2-3,5H,4H2,1H3,(H2,9,11)(H,10,12)/t;12-;;;/m.1.../s1
InChIKeyTWDHMWBWJCZWIN-RCWFDLANSA-N
MW1050.32 g/mol
LogP4.30
Rot. Bonds16

About N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide

N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide (PubChem CID 161003056) has the molecular formula C54H79N15O7 and a molecular weight of 1050.32 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide
PubChem CID161003056
Molecular FormulaC54H79N15O7
Molecular Weight1050.32 g/mol
Exact Mass1049.63
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide
SMILESCC(=O)N(C)Cc1ccc(N)nc1.CC(=O)N(Cc1ccc(N)nc1)CC1CCOCC1.CC(=O)N(Cc1ccc(N)nc1)C[C@H]1CCCO1.CC(=O)NCCCc1ccc(N)nc1.CC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C14H21N3O2.C13H19N3O2.C10H15N3O.C9H13N3O.C8H11N3O/c1-11(18)17(9-12-4-6-19-7-5-12)10-13-2-3-14(15)16-8-13;1-10(17)16(9-12-3-2-6-18-12)8-11-4-5-13(14)15-7-11;1-8(14)12-6-2-3-9-4-5-10(11)13-7-9;1-7(13)12(2)6-8-3-4-9(10)11-5-8;1-6(12)10-4-7-2-3-8(9)11-5-7/h2-3,8,12H,4-7,9-10H2,1H3,(H2,15,16);4-5,7,12H,2-3,6,8-9H2,1H3,(H2,14,15);4-5,7H,2-3,6H2,1H3,(H2,11,13)(H,12,14);3-5H,6H2,1-2H3,(H2,10,11);2-3,5H,4H2,1H3,(H2,9,11)(H,10,12)/t;12-;;;/m.1.../s1
InChIKeyTWDHMWBWJCZWIN-RCWFDLANSA-N
XLogP4.30
TPSA332.14 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001050.32
LogP ≤ 54.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide (CID 161003056) is N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide is CC(=O)N(C)Cc1ccc(N)nc1.CC(=O)N(Cc1ccc(N)nc1)CC1CCOCC1.CC(=O)N(Cc1ccc(N)nc1)C[C@H]1CCCO1.CC(=O)NCCCc1ccc(N)nc1.CC(=O)NCc1ccc(N)nc1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide?
The InChIKey is TWDHMWBWJCZWIN-RCWFDLANSA-N. The full InChI is InChI=1S/C14H21N3O2.C13H19N3O2.C10H15N3O.C9H13N3O.C8H11N3O/c1-11(18)17(9-12-4-6-19-7-5-12)10-13-2-3-14(15)16-8-13;1-10(17)16(9-12-3-2-6-18-12)8-11-4-5-13(14)15-7-11;1-8(14)12-6-2-3-9-4-5-10(11)13-7-9;1-7(13)12(2)6-8-3-4-9(10)11-5-8;1-6(12)10-4-7-2-3-8(9)11-5-7/h2-3,8,12H,4-7,9-10H2,1H3,(H2,15,16);4-5,7,12H,2-3,6,8-9H2,1H3,(H2,14,15);4-5,7H,2-3,6H2,1H3,(H2,11,13)(H,12,14);3-5H,6H2,1-2H3,(H2,10,11);2-3,5H,4H2,1H3,(H2,9,11)(H,10,12)/t;12-;;;/m.1.../s1.
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide?
N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide has a molecular weight of 1050.32 g/mol, XLogP of 4.30, 16 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-methylacetamide;N-[(6-amino-3-pyridinyl)methyl]-N-(oxan-4-ylmethyl)acetamide;N-[(6-amino-3-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide;N-[3-(6-amino-3-pyridinyl)propyl]acetamide is sourced from PubChem (CID 161003056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).