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

C20H16N4O — CID 99645762

IUPACN-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1cc2ccncc2[nH]1)c1ccncc1
InChIInChI=1S/C20H16N4O/c25-20(15-6-9-21-10-7-15)24-19(14-4-2-1-3-5-14)17-12-16-8-11-22-13-18(16)23-17/h1-13,19,23H,(H,24,25)/t19-/m0/s1
InChIKeyVRPOFZBAAREAFX-IBGZPJMESA-N
MW328.38 g/mol
LogP3.48
Rot. Bonds4

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

N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 99645762) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID99645762
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1cc2ccncc2[nH]1)c1ccncc1
InChIInChI=1S/C20H16N4O/c25-20(15-6-9-21-10-7-15)24-19(14-4-2-1-3-5-14)17-12-16-8-11-22-13-18(16)23-17/h1-13,19,23H,(H,24,25)/t19-/m0/s1
InChIKeyVRPOFZBAAREAFX-IBGZPJMESA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]benzamide
CID 99645988
N-[2-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethyl]pyridine-4-carboxamide
CID 143121546
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74247011
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide
CID 110322061
3-phenylmethoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 60521820
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723

Frequently Asked Questions

What is the IUPAC name of N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide (CID 99645762) is N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide is O=C(N[C@@H](c1ccccc1)c1cc2ccncc2[nH]1)c1ccncc1.
What is the InChIKey of N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is VRPOFZBAAREAFX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(15-6-9-21-10-7-15)24-19(14-4-2-1-3-5-14)17-12-16-8-11-22-13-18(16)23-17/h1-13,19,23H,(H,24,25)/t19-/m0/s1.
What are the key properties of N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide?
N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 99645762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).