2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride

C21H25ClN4O — CID 171667295

IUPAC2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ncccc1-c1cc2cccnc2n1CCCNC(=O)C1CC1C.Cl
InChIInChI=1S/C21H24N4O.ClH/c1-14-12-18(14)21(26)24-10-5-11-25-19(17-7-4-8-22-15(17)2)13-16-6-3-9-23-20(16)25;/h3-4,6-9,13-14,18H,5,10-12H2,1-2H3,(H,24,26);1H
InChIKeyZIEKWUMOGZEJSJ-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.99
Rot. Bonds6

About 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride

2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 171667295) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID171667295
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ncccc1-c1cc2cccnc2n1CCCNC(=O)C1CC1C.Cl
InChIInChI=1S/C21H24N4O.ClH/c1-14-12-18(14)21(26)24-10-5-11-25-19(17-7-4-8-22-15(17)2)13-16-6-3-9-23-20(16)25;/h3-4,6-9,13-14,18H,5,10-12H2,1-2H3,(H,24,26);1H
InChIKeyZIEKWUMOGZEJSJ-UHFFFAOYSA-N
XLogP3.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide
CID 51499433
2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride
CID 171667292
N-cyclopropyl-3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 95849530
N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide
CID 46965507
2-fluoro-N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]benzamide;hydrochloride
CID 171700035
N-cyclopropyl-3-[2-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 92558915
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279
trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide
CID 92565325
trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94199881
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 110245309
N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
CID 46965776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride (CID 171667295) is 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride is Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)C1CC1C.Cl.
What is the InChIKey of 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ZIEKWUMOGZEJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O.ClH/c1-14-12-18(14)21(26)24-10-5-11-25-19(17-7-4-8-22-15(17)2)13-16-6-3-9-23-20(16)25;/h3-4,6-9,13-14,18H,5,10-12H2,1-2H3,(H,24,26);1H.
What are the key properties of 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride?
2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 171667295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).