1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C22H26ClN5O2 — CID 69079499

IUPAC1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn(C(C)C(N)=O)c2nccc(Cl)c12)c1cccnc1
InChIInChI=1S/C22H26ClN5O2/c1-13(2)9-16(15-5-4-7-25-10-15)11-27-22(30)17-12-28(14(3)20(24)29)21-19(17)18(23)6-8-26-21/h4-8,10,12-14,16H,9,11H2,1-3H3,(H2,24,29)(H,27,30)
InChIKeyKYUXWPZGKXCBCU-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.69
Rot. Bonds8

About 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide

1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 69079499) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID69079499
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn(C(C)C(N)=O)c2nccc(Cl)c12)c1cccnc1
InChIInChI=1S/C22H26ClN5O2/c1-13(2)9-16(15-5-4-7-25-10-15)11-27-22(30)17-12-28(14(3)20(24)29)21-19(17)18(23)6-8-26-21/h4-8,10,12-14,16H,9,11H2,1-3H3,(H2,24,29)(H,27,30)
InChIKeyKYUXWPZGKXCBCU-UHFFFAOYSA-N
XLogP3.69
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
CID 69084825
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-methyl-2-pyridin-3-ylpentyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 70862485
1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
CID 70972802
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide
CID 95974684
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
4-chloro-1-[(5Z,7Z)-3,4-dihydroazocin-2-yl]-N-[2-(2-methylpyrimidin-5-yl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 143857542
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 69079499) is 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)CC(CNC(=O)c1cn(C(C)C(N)=O)c2nccc(Cl)c12)c1cccnc1.
What is the InChIKey of 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is KYUXWPZGKXCBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-13(2)9-16(15-5-4-7-25-10-15)11-27-22(30)17-12-28(14(3)20(24)29)21-19(17)18(23)6-8-26-21/h4-8,10,12-14,16H,9,11H2,1-3H3,(H2,24,29)(H,27,30).
What are the key properties of 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxopropan-2-yl)-4-chloro-N-(4-methyl-2-pyridin-3-ylpentyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 69079499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).