6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide

C29H30N10O4 — CID 138562442

IUPAC6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)c5n[nH]c(C)n5)CC4)c(C#N)c3)ncn2)ccc1C(=O)N(C)C
InChIInChI=1S/C29H30N10O4/c1-17-33-26(37-36-17)29(41)39-11-9-20(10-12-39)43-23-7-5-18(13-19(23)15-30)22-14-25(32-16-31-22)34-24-8-6-21(27(35-24)42-4)28(40)38(2)3/h5-8,13-14,16,20H,9-12H2,1-4H3,(H,33,36,37)(H,31,32,34,35)
InChIKeyIYVWMDHJZGNESQ-UHFFFAOYSA-N
MW582.63 g/mol
LogP2.97
Rot. Bonds8

About 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide

6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 138562442) has the molecular formula C29H30N10O4 and a molecular weight of 582.63 g/mol. Its IUPAC name is 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID138562442
Molecular FormulaC29H30N10O4
Molecular Weight582.63 g/mol
Exact Mass582.25
IUPAC Name6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)c5n[nH]c(C)n5)CC4)c(C#N)c3)ncn2)ccc1C(=O)N(C)C
InChIInChI=1S/C29H30N10O4/c1-17-33-26(37-36-17)29(41)39-11-9-20(10-12-39)43-23-7-5-18(13-19(23)15-30)22-14-25(32-16-31-22)34-24-8-6-21(27(35-24)42-4)28(40)38(2)3/h5-8,13-14,16,20H,9-12H2,1-4H3,(H,33,36,37)(H,31,32,34,35)
InChIKeyIYVWMDHJZGNESQ-UHFFFAOYSA-N
XLogP2.97
TPSA175.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.63
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(((3R,4S)-3-fluoro-1-(3-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl)oxy)-5-(4-((4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile
CID 118979890
2-(((3R,4S)-1-(3,4-dimethyl-1H-pyrazole-5-carbonyl)-3-fluoropiperidin-4-yl)oxy)-5-(4-((4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile
CID 118980572
2-(((3R,4S)-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-3-fluoropiperidin-4-yl)oxy)-5-(4-((4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile
CID 121247007
US11440899, Example 47
CID 149961279
US11440899, Example 48
CID 150564628
US11440899, Example 46
CID 159171390
US10072001, Example 187
CID 118537390
5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
CID 122487515
N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 122487523
US11034671, Example 73
CID 138458360
US11034671, Example 63
CID 138458383
US11440899, Example 39
CID 138561930

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide (CID 138562442) is 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide is COc1nc(Nc2cc(-c3ccc(OC4CCN(C(=O)c5n[nH]c(C)n5)CC4)c(C#N)c3)ncn2)ccc1C(=O)N(C)C.
What is the InChIKey of 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is IYVWMDHJZGNESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N10O4/c1-17-33-26(37-36-17)29(41)39-11-9-20(10-12-39)43-23-7-5-18(13-19(23)15-30)22-14-25(32-16-31-22)34-24-8-6-21(27(35-24)42-4)28(40)38(2)3/h5-8,13-14,16,20H,9-12H2,1-4H3,(H,33,36,37)(H,31,32,34,35).
What are the key properties of 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide?
6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 582.63 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[3-cyano-4-[1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]amino]-2-methoxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 138562442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).