6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide

C23H27N7O3 — CID 152867039

IUPAC6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCCCC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(c3cccc(C(N)=O)n3)CC2)n1
InChIInChI=1S/C23H27N7O3/c1-2-4-19(31)21-27-22(29-23(28-21)33-13-16-11-15(16)12-24)30-9-7-14(8-10-30)17-5-3-6-18(26-17)20(25)32/h3,5-6,14-16H,2,4,7-11,13H2,1H3,(H2,25,32)/t15-,16+/m0/s1
InChIKeyTYQYEQJZFLQDRP-JKSUJKDBSA-N
MW449.52 g/mol
LogP2.27
Rot. Bonds9

About 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide

6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 152867039) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID152867039
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCCCC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(c3cccc(C(N)=O)n3)CC2)n1
InChIInChI=1S/C23H27N7O3/c1-2-4-19(31)21-27-22(29-23(28-21)33-13-16-11-15(16)12-24)30-9-7-14(8-10-30)17-5-3-6-18(26-17)20(25)32/h3,5-6,14-16H,2,4,7-11,13H2,1H3,(H2,25,32)/t15-,16+/m0/s1
InChIKeyTYQYEQJZFLQDRP-JKSUJKDBSA-N
XLogP2.27
TPSA147.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 126683903
4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazine-2-carboxylic acid
CID 121409478
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 121409100
1-[[4-butanoyl-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 157092373
N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 126683792
N-(1-bicyclo[1.1.1]pentanyl)-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 121409546
4-[[(1S)-2-cyanocyclopropyl]methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 126683890
methyl 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazine-2-carboxylate
CID 121409060
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-methylcyclobut-2-en-1-yl)-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 126683667
cis-(1R,2S)-2-[[4-chloro-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 121409066
4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[[(1R,2S)-2-cyanocyclopropyl]methoxy]-N-(2,2-dimethylpropyl)-1,3,5-triazine-2-carboxamide
CID 121409212
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]-1,3,5-triazine-2-carboxamide
CID 126683794

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide (CID 152867039) is 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide is CCCC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(c3cccc(C(N)=O)n3)CC2)n1.
What is the InChIKey of 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is TYQYEQJZFLQDRP-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-2-4-19(31)21-27-22(29-23(28-21)33-13-16-11-15(16)12-24)30-9-7-14(8-10-30)17-5-3-6-18(26-17)20(25)32/h3,5-6,14-16H,2,4,7-11,13H2,1H3,(H2,25,32)/t15-,16+/m0/s1.
What are the key properties of 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide?
6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 152867039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).