4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide

C25H26FN7O2 — CID 58439926

IUPAC4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccc(Cc2cc(NC3CCN(c4ccc(C#N)cn4)C[C@@H]3F)c(C(N)=O)cn2)nc1
InChIInChI=1S/C25H26FN7O2/c1-35-15-17-2-4-18(29-12-17)8-19-9-23(20(13-30-19)25(28)34)32-22-6-7-33(14-21(22)26)24-5-3-16(10-27)11-31-24/h2-5,9,11-13,21-22H,6-8,14-15H2,1H3,(H2,28,34)(H,30,32)/t21-,22?/m0/s1
InChIKeyNPTCHPQJCABXPU-HMTLIYDFSA-N
MW475.53 g/mol
LogP2.61
Rot. Bonds8

About 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide

4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 58439926) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID58439926
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccc(Cc2cc(NC3CCN(c4ccc(C#N)cn4)C[C@@H]3F)c(C(N)=O)cn2)nc1
InChIInChI=1S/C25H26FN7O2/c1-35-15-17-2-4-18(29-12-17)8-19-9-23(20(13-30-19)25(28)34)32-22-6-7-33(14-21(22)26)24-5-3-16(10-27)11-31-24/h2-5,9,11-13,21-22H,6-8,14-15H2,1H3,(H2,28,34)(H,30,32)/t21-,22?/m0/s1
InChIKeyNPTCHPQJCABXPU-HMTLIYDFSA-N
XLogP2.61
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-Cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
CID 1489435
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-8-fluoroquinoline-3-carboxylate
CID 134146336
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-6-fluoroquinoline-3-carboxylate
CID 134154720
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate
CID 134157892
5-(Cyclopropylamino)-7-(6-methoxy-3-pyridinyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959596
7-(6-Methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959870
US10030016, Example 103
CID 68161378
(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381275
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-6-methylquinoline-3-carboxylate
CID 134133221
Methyl 4-[(3-cyano-4-fluorophenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132063
3,3-dimethyl-6-[(3R)-3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90282932
N-(tert-butyl)-5-(3-chloro-4-methylphenyl)-2-(2-furyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
CID 49660340

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide (CID 58439926) is 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide is COCc1ccc(Cc2cc(NC3CCN(c4ccc(C#N)cn4)C[C@@H]3F)c(C(N)=O)cn2)nc1.
What is the InChIKey of 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is NPTCHPQJCABXPU-HMTLIYDFSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-35-15-17-2-4-18(29-12-17)8-19-9-23(20(13-30-19)25(28)34)32-22-6-7-33(14-21(22)26)24-5-3-16(10-27)11-31-24/h2-5,9,11-13,21-22H,6-8,14-15H2,1H3,(H2,28,34)(H,30,32)/t21-,22?/m0/s1.
What are the key properties of 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(methoxymethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58439926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).