6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide

C32H28N8O — CID 177349514

IUPAC6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide
SMILESN#Cc1nccc(NC2CCN(Cc3ccc(-c4nc5ccc(C(N)=O)nc5cc4-c4ccccc4)cc3)CC2)n1
InChIInChI=1S/C32H28N8O/c33-19-30-35-15-12-29(39-30)36-24-13-16-40(17-14-24)20-21-6-8-23(9-7-21)31-25(22-4-2-1-3-5-22)18-28-26(38-31)10-11-27(37-28)32(34)41/h1-12,15,18,24H,13-14,16-17,20H2,(H2,34,41)(H,35,36,39)
InChIKeyWDTGPPRLVGMXLK-UHFFFAOYSA-N
MW540.63 g/mol
LogP4.80
Rot. Bonds7

About 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide

6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide (PubChem CID 177349514) has the molecular formula C32H28N8O and a molecular weight of 540.63 g/mol. Its IUPAC name is 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide
PubChem CID177349514
Molecular FormulaC32H28N8O
Molecular Weight540.63 g/mol
Exact Mass540.24
IUPAC Name6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide
SMILESN#Cc1nccc(NC2CCN(Cc3ccc(-c4nc5ccc(C(N)=O)nc5cc4-c4ccccc4)cc3)CC2)n1
InChIInChI=1S/C32H28N8O/c33-19-30-35-15-12-29(39-30)36-24-13-16-40(17-14-24)20-21-6-8-23(9-7-21)31-25(22-4-2-1-3-5-22)18-28-26(38-31)10-11-27(37-28)32(34)41/h1-12,15,18,24H,13-14,16-17,20H2,(H2,34,41)(H,35,36,39)
InChIKeyWDTGPPRLVGMXLK-UHFFFAOYSA-N
XLogP4.80
TPSA133.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.63
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-2-ethyl-5-phenylpyridine-3-carboxamide
CID 177349527
7-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 177349753
7-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-6-phenyl-1,8-naphthyridine-3-carboxylic acid
CID 177349353
methyl 8-amino-2-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxylate
CID 177349610
ethane;4-[[1-[[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177349477
4-[[1-[[4-(3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177349704
2-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrimidine-6-carboxamide
CID 177349502
4-[[1-[[4-(2,5-diphenyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177136950
4-[[1-[[4-(7-phenyl-6H-imidazo[4,5-h]quinoxalin-8-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177349509
2-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-N-ethyl-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide
CID 177349943
4-[[1-[[4-(8-fluoro-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazin-2-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177136720
4-[[1-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-(trihydroxymethyl)amino]pyrimidine-2-carbonitrile
CID 177349424

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide (CID 177349514) is 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide is N#Cc1nccc(NC2CCN(Cc3ccc(-c4nc5ccc(C(N)=O)nc5cc4-c4ccccc4)cc3)CC2)n1.
What is the InChIKey of 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide?
The InChIKey is WDTGPPRLVGMXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N8O/c33-19-30-35-15-12-29(39-30)36-24-13-16-40(17-14-24)20-21-6-8-23(9-7-21)31-25(22-4-2-1-3-5-22)18-28-26(38-31)10-11-27(37-28)32(34)41/h1-12,15,18,24H,13-14,16-17,20H2,(H2,34,41)(H,35,36,39).
What are the key properties of 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide?
6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide has a molecular weight of 540.63 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 177349514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).