N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide

C21H18N4O — CID 143121546

IUPACN-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1cc2ccncc2[nH]1)c1ccncc1
InChIInChI=1S/C21H18N4O/c26-21(16-6-9-22-10-7-16)25-18(12-15-4-2-1-3-5-15)19-13-17-8-11-23-14-20(17)24-19/h1-11,13-14,18,24H,12H2,(H,25,26)
InChIKeyFKFLMQDFCBWHAQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.67
Rot. Bonds5

About N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide

N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 143121546) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID143121546
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1cc2ccncc2[nH]1)c1ccncc1
InChIInChI=1S/C21H18N4O/c26-21(16-6-9-22-10-7-16)25-18(12-15-4-2-1-3-5-15)19-13-17-8-11-23-14-20(17)24-19/h1-11,13-14,18,24H,12H2,(H,25,26)
InChIKeyFKFLMQDFCBWHAQ-UHFFFAOYSA-N
XLogP3.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 99645762
N-[(R)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]benzamide
CID 99645988
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
CID 110204364
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 9186004
N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 118066536
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]pyrazine-2-carboxamide
CID 146576189
N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]acetamide
CID 24838768

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide (CID 143121546) is N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide is O=C(NC(Cc1ccccc1)c1cc2ccncc2[nH]1)c1ccncc1.
What is the InChIKey of N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is FKFLMQDFCBWHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(16-6-9-22-10-7-16)25-18(12-15-4-2-1-3-5-15)19-13-17-8-11-23-14-20(17)24-19/h1-11,13-14,18,24H,12H2,(H,25,26).
What are the key properties of N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide?
N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 143121546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).