N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C16H24N4O — CID 119659375

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C16H24N4O/c1-11(2)14(17)6-8-20(3)15(21)9-12-10-19-16-13(12)5-4-7-18-16/h4-5,7,10-11,14H,6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyVKLOKNJKRBAHNQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.94
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 119659375) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID119659375
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C16H24N4O/c1-11(2)14(17)6-8-20(3)15(21)9-12-10-19-16-13(12)5-4-7-18-16/h4-5,7,10-11,14H,6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyVKLOKNJKRBAHNQ-UHFFFAOYSA-N
XLogP1.94
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115317706
N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154838415
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119654771
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119660207
propan-2-yl (2R)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 135396257
4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
CID 120535022
N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride
CID 119657984
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
1-[2-[methyl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 120525595
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154843804
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 119659375) is N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CC(C)C(N)CCN(C)C(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is VKLOKNJKRBAHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)14(17)6-8-20(3)15(21)9-12-10-19-16-13(12)5-4-7-18-16/h4-5,7,10-11,14H,6,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 119659375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).