5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine

C38H28F2N8O3 — CID 167541934

IUPAC5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nc1.N#Cc1ccc(C(=O)O)nc1.Nc1ccc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C19H13FN4O.C12H11FN2.C7H4N2O2/c20-16-3-1-2-13(9-16)8-14-5-7-18(23-11-14)24-19(25)17-6-4-15(10-21)12-22-17;13-11-3-1-2-9(7-11)6-10-4-5-12(14)15-8-10;8-3-5-1-2-6(7(10)11)9-4-5/h1-7,9,11-12H,8H2,(H,23,24,25);1-5,7-8H,6H2,(H2,14,15);1-2,4H,(H,10,11)
InChIKeyBHRDQTIIVZXNGY-UHFFFAOYSA-N
MW682.69 g/mol
LogP6.38
Rot. Bonds7

About 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine

5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 167541934) has the molecular formula C38H28F2N8O3 and a molecular weight of 682.69 g/mol. Its IUPAC name is 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine
PubChem CID167541934
Molecular FormulaC38H28F2N8O3
Molecular Weight682.69 g/mol
Exact Mass682.23
IUPAC Name5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nc1.N#Cc1ccc(C(=O)O)nc1.Nc1ccc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C19H13FN4O.C12H11FN2.C7H4N2O2/c20-16-3-1-2-13(9-16)8-14-5-7-18(23-11-14)24-19(25)17-6-4-15(10-21)12-22-17;13-11-3-1-2-9(7-11)6-10-4-5-12(14)15-8-10;8-3-5-1-2-6(7(10)11)9-4-5/h1-7,9,11-12H,8H2,(H,23,24,25);1-5,7-8H,6H2,(H2,14,15);1-2,4H,(H,10,11)
InChIKeyBHRDQTIIVZXNGY-UHFFFAOYSA-N
XLogP6.38
TPSA191.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.69
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[[2-(2-Piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]benzoic acid
CID 66836430
5-[[2-(2-Piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
CID 67128133
5-[1-(2,5-Difluorobenzyl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]-pyridine-2-carboxylic acid
CID 24853332
4-Cyano-6-hydroxymethyl-pyridine-2-carboxylic acid (5-fluoro-pyridin-2-yl)-amide
CID 46899268
6-[[[6-(2-Cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid
CID 57542735
5-(Trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyridin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
CID 58645518
5-(Trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
CID 58645711
4-[[2-(2-Piperazin-1-ylpyridin-4-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]carbamoyl]benzoic acid
CID 66836793
5-(Fluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
CID 68344287
5-(Fluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
CID 68344364
5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid
CID 90072386
N-[6-[(4S,6S)-2-amino-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117644882

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine (CID 167541934) is 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine is N#Cc1ccc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nc1.N#Cc1ccc(C(=O)O)nc1.Nc1ccc(Cc2cccc(F)c2)cn1.
What is the InChIKey of 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is BHRDQTIIVZXNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O.C12H11FN2.C7H4N2O2/c20-16-3-1-2-13(9-16)8-14-5-7-18(23-11-14)24-19(25)17-6-4-15(10-21)12-22-17;13-11-3-1-2-9(7-11)6-10-4-5-12(14)15-8-10;8-3-5-1-2-6(7(10)11)9-4-5/h1-7,9,11-12H,8H2,(H,23,24,25);1-5,7-8H,6H2,(H2,14,15);1-2,4H,(H,10,11).
What are the key properties of 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine?
5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 682.69 g/mol, XLogP of 6.38, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyridine-2-carboxamide;5-cyanopyridine-2-carboxylic acid;5-[(3-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 167541934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).