4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide

C23H21N9O — CID 58440183

IUPAC4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(Cc2cc(NC3CCN(c4cnc(C#N)cn4)CC3)c(C(N)=O)cn2)nc1
InChIInChI=1S/C23H21N9O/c24-9-15-1-2-17(27-11-15)7-18-8-21(20(13-28-18)23(26)33)31-16-3-5-32(6-4-16)22-14-29-19(10-25)12-30-22/h1-2,8,11-14,16H,3-7H2,(H2,26,33)(H,28,31)
InChIKeyDDTWAFSWHADQIT-UHFFFAOYSA-N
MW439.48 g/mol
LogP1.78
Rot. Bonds6

About 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide

4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 58440183) has the molecular formula C23H21N9O and a molecular weight of 439.48 g/mol. Its IUPAC name is 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID58440183
Molecular FormulaC23H21N9O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC Name4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(Cc2cc(NC3CCN(c4cnc(C#N)cn4)CC3)c(C(N)=O)cn2)nc1
InChIInChI=1S/C23H21N9O/c24-9-15-1-2-17(27-11-15)7-18-8-21(20(13-28-18)23(26)33)31-16-3-5-32(6-4-16)22-14-29-19(10-25)12-30-22/h1-2,8,11-14,16H,3-7H2,(H2,26,33)(H,28,31)
InChIKeyDDTWAFSWHADQIT-UHFFFAOYSA-N
XLogP1.78
TPSA157.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[[4-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 58440352
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide
CID 58440217
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 58440304
6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 155537151
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(2-oxoazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 58439937
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 58440245
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[(4-phenylsulfanylphenyl)methyl]pyridine-3-carboxamide
CID 58439915
6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 67372281
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 15953526
4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
CID 46208478
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide
CID 58440050
7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide
CID 123295215

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide (CID 58440183) is 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide is N#Cc1ccc(Cc2cc(NC3CCN(c4cnc(C#N)cn4)CC3)c(C(N)=O)cn2)nc1.
What is the InChIKey of 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is DDTWAFSWHADQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O/c24-9-15-1-2-17(27-11-15)7-18-8-21(20(13-28-18)23(26)33)31-16-3-5-32(6-4-16)22-14-29-19(10-25)12-30-22/h1-2,8,11-14,16H,3-7H2,(H2,26,33)(H,28,31).
What are the key properties of 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide?
4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58440183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).