N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide

C16H25N3O2 — CID 124626187

IUPACN-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCc1ccc(NCCCNC(=O)C[C@H]2CCCOC2)nc1
InChIInChI=1S/C16H25N3O2/c1-13-5-6-15(19-11-13)17-7-3-8-18-16(20)10-14-4-2-9-21-12-14/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1
InChIKeyOBVLHFVEFXMURF-CQSZACIVSA-N
MW291.39 g/mol
LogP2.12
Rot. Bonds7

About N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide

N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide (PubChem CID 124626187) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
PubChem CID124626187
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCc1ccc(NCCCNC(=O)C[C@H]2CCCOC2)nc1
InChIInChI=1S/C16H25N3O2/c1-13-5-6-15(19-11-13)17-7-3-8-18-16(20)10-14-4-2-9-21-12-14/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1
InChIKeyOBVLHFVEFXMURF-CQSZACIVSA-N
XLogP2.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
CID 131922621
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide;dihydrochloride
CID 119888049
2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 126425334
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide
CID 86778769
6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide
CID 122562773
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide
CID 124749664
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide
CID 124749663
2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
CID 119062728
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082
2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 131911826
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 97033170

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide?
The IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide (CID 124626187) is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide.
What is the SMILES notation for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide?
The canonical SMILES for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide is Cc1ccc(NCCCNC(=O)C[C@H]2CCCOC2)nc1.
What is the InChIKey of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide?
The InChIKey is OBVLHFVEFXMURF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-5-6-15(19-11-13)17-7-3-8-18-16(20)10-14-4-2-9-21-12-14/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1.
What are the key properties of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide?
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide is sourced from PubChem (CID 124626187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).