2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide

C20H17N5O2 — CID 71667380

IUPAC2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
SMILESN#Cc1ccc(-c2cc(C(=O)NCC(=O)N3CCC[C@H]3C#N)ccn2)cc1
InChIInChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
InChIKeyNPTPMAMSSQKOKH-KRWDZBQOSA-N
MW359.39 g/mol
LogP1.86
Rot. Bonds4

About 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide

2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 71667380) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID71667380
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
SMILESN#Cc1ccc(-c2cc(C(=O)NCC(=O)N3CCC[C@H]3C#N)ccn2)cc1
InChIInChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
InChIKeyNPTPMAMSSQKOKH-KRWDZBQOSA-N
XLogP1.86
TPSA109.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide (CID 71667380) is 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide is N#Cc1ccc(-c2cc(C(=O)NCC(=O)N3CCC[C@H]3C#N)ccn2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is NPTPMAMSSQKOKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1.
What are the key properties of 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 71667380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).