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

C23H23N7O — CID 155537151

IUPAC6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Nc3cc(Nc4ccccc4)ncc3C(N)=O)CC2)nc1
InChIInChI=1S/C23H23N7O/c24-13-16-6-7-22(27-14-16)30-10-8-18(9-11-30)28-20-12-21(26-15-19(20)23(25)31)29-17-4-2-1-3-5-17/h1-7,12,14-15,18H,8-11H2,(H2,25,31)(H2,26,28,29)
InChIKeyDCHOIOVTXGTPJC-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.27
Rot. Bonds6

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

6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 155537151) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID155537151
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Nc3cc(Nc4ccccc4)ncc3C(N)=O)CC2)nc1
InChIInChI=1S/C23H23N7O/c24-13-16-6-7-22(27-14-16)30-10-8-18(9-11-30)28-20-12-21(26-15-19(20)23(25)31)29-17-4-2-1-3-5-17/h1-7,12,14-15,18H,8-11H2,(H2,25,31)(H2,26,28,29)
InChIKeyDCHOIOVTXGTPJC-UHFFFAOYSA-N
XLogP3.27
TPSA119.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

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-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
CID 46208478
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[[4-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 58440352
4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 58440183
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 15953526
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide
CID 58440217
7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide
CID 123295215
6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
CID 58440219
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[(4-phenylsulfanylphenyl)methyl]pyridine-3-carboxamide
CID 58439915

Frequently Asked Questions

What is the IUPAC name of 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide (CID 155537151) is 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide is N#Cc1ccc(N2CCC(Nc3cc(Nc4ccccc4)ncc3C(N)=O)CC2)nc1.
What is the InChIKey of 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is DCHOIOVTXGTPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c24-13-16-6-7-22(27-14-16)30-10-8-18(9-11-30)28-20-12-21(26-15-19(20)23(25)31)29-17-4-2-1-3-5-17/h1-7,12,14-15,18H,8-11H2,(H2,25,31)(H2,26,28,29).
What are the key properties of 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 155537151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).