6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide

C19H17N5O2 — CID 66589912

IUPAC6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(C#N)nc3)n[nH]2)c1
InChIInChI=1S/C19H17N5O2/c1-26-17-4-2-3-13(9-17)5-7-15-10-18(24-23-15)22-19(25)14-6-8-16(11-20)21-12-14/h2-4,6,8-10,12H,5,7H2,1H3,(H2,22,23,24,25)
InChIKeyPTEJDKGWDNPCNH-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.72
Rot. Bonds6

About 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide

6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 66589912) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID66589912
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(C#N)nc3)n[nH]2)c1
InChIInChI=1S/C19H17N5O2/c1-26-17-4-2-3-13(9-17)5-7-15-10-18(24-23-15)22-19(25)14-6-8-16(11-20)21-12-14/h2-4,6,8-10,12H,5,7H2,1H3,(H2,22,23,24,25)
InChIKeyPTEJDKGWDNPCNH-UHFFFAOYSA-N
XLogP2.72
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate
CID 67188115
4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589783
4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589647
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-phenylpyrimidine-5-carboxamide
CID 86972575
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 174646542
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S)-3,5-dimethylpiperazin-1-yl]benzamide
CID 130413665
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
3-methoxy-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619852
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-methyl-2-nitrobenzamide
CID 86972613

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide (CID 66589912) is 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide is COc1cccc(CCc2cc(NC(=O)c3ccc(C#N)nc3)n[nH]2)c1.
What is the InChIKey of 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is PTEJDKGWDNPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-17-4-2-3-13(9-17)5-7-15-10-18(24-23-15)22-19(25)14-6-8-16(11-20)21-12-14/h2-4,6,8-10,12H,5,7H2,1H3,(H2,22,23,24,25).
What are the key properties of 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide?
6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66589912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).