2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide

C14H23ClN4O — CID 62890643

IUPAC2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nc(NC)ccc1Cl
InChIInChI=1S/C14H23ClN4O/c1-5-19(9-14(20)17-10(2)3)8-12-11(15)6-7-13(16-4)18-12/h6-7,10H,5,8-9H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyBOULNYYUDLKKET-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.12
Rot. Bonds7

About 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide

2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 62890643) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID62890643
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nc(NC)ccc1Cl
InChIInChI=1S/C14H23ClN4O/c1-5-19(9-14(20)17-10(2)3)8-12-11(15)6-7-13(16-4)18-12/h6-7,10H,5,8-9H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyBOULNYYUDLKKET-UHFFFAOYSA-N
XLogP2.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 62892164
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]ethanol
CID 62890436
2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80805603
2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 79255705
2-[ethyl-[(6-hydrazinyl-2-pyridinyl)methyl]amino]-N-propan-2-ylacetamide
CID 79242850
2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 103054171
5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 62891142
2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 80656109
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-ethylamino]acetate
CID 62890414
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 103182194
2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55411702

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide (CID 62890643) is 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1nc(NC)ccc1Cl.
What is the InChIKey of 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is BOULNYYUDLKKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-5-19(9-14(20)17-10(2)3)8-12-11(15)6-7-13(16-4)18-12/h6-7,10H,5,8-9H2,1-4H3,(H,16,18)(H,17,20).
What are the key properties of 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide?
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 298.82 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 2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62890643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).