5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide

C16H14ClN5O — CID 166300624

IUPAC5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide
SMILESN#Cc1cccc(-c2cnc(C(=O)NC3CCNC3)cn2)c1Cl
InChIInChI=1S/C16H14ClN5O/c17-15-10(6-18)2-1-3-12(15)13-8-21-14(9-20-13)16(23)22-11-4-5-19-7-11/h1-3,8-9,11,19H,4-5,7H2,(H,22,23)
InChIKeyKPYXUWHUQBYCGT-UHFFFAOYSA-N
MW327.78 g/mol
LogP1.76
Rot. Bonds3

About 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide

5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide (PubChem CID 166300624) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide
PubChem CID166300624
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide
SMILESN#Cc1cccc(-c2cnc(C(=O)NC3CCNC3)cn2)c1Cl
InChIInChI=1S/C16H14ClN5O/c17-15-10(6-18)2-1-3-12(15)13-8-21-14(9-20-13)16(23)22-11-4-5-19-7-11/h1-3,8-9,11,19H,4-5,7H2,(H,22,23)
InChIKeyKPYXUWHUQBYCGT-UHFFFAOYSA-N
XLogP1.76
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide
CID 167758247
N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 113265403
5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 177042514
5-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166250475
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154904834
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
5-cyano-4-methoxy-N-piperidin-4-ylpyridine-2-carboxamide;ethane
CID 145096174
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide
CID 112531060
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
CID 142582873

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide (CID 166300624) is 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide is N#Cc1cccc(-c2cnc(C(=O)NC3CCNC3)cn2)c1Cl.
What is the InChIKey of 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide?
The InChIKey is KPYXUWHUQBYCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-15-10(6-18)2-1-3-12(15)13-8-21-14(9-20-13)16(23)22-11-4-5-19-7-11/h1-3,8-9,11,19H,4-5,7H2,(H,22,23).
What are the key properties of 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide?
5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 166300624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).