6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide

C29H30N6O2 — CID 122286864

IUPAC6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(OC5CCCC5)nc4)cc3)n2)cc1
InChIInChI=1S/C29H30N6O2/c1-19-7-10-22(11-8-19)32-26-17-20(2)31-29(35-26)34-24-14-12-23(13-15-24)33-28(36)21-9-16-27(30-18-21)37-25-5-3-4-6-25/h7-18,25H,3-6H2,1-2H3,(H,33,36)(H2,31,32,34,35)
InChIKeyGPYGPZBVNVLIPV-UHFFFAOYSA-N
MW494.60 g/mol
LogP6.55
Rot. Bonds8

About 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide

6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 122286864) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide
PubChem CID122286864
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(OC5CCCC5)nc4)cc3)n2)cc1
InChIInChI=1S/C29H30N6O2/c1-19-7-10-22(11-8-19)32-26-17-20(2)31-29(35-26)34-24-14-12-23(13-15-24)33-28(36)21-9-16-27(30-18-21)37-25-5-3-4-6-25/h7-18,25H,3-6H2,1-2H3,(H,33,36)(H2,31,32,34,35)
InChIKeyGPYGPZBVNVLIPV-UHFFFAOYSA-N
XLogP6.55
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide
CID 18566649
4-chloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090463
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-phenoxybenzamide
CID 122296113
1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122296060
6-cyclopentyloxy-N-[2-(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122298052
3-methoxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzamide
CID 44826839
6-methoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide
CID 122287660
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122296069
4-[[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194251
6-cyclopentyloxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298313
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide (CID 122286864) is 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide is Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(OC5CCCC5)nc4)cc3)n2)cc1.
What is the InChIKey of 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is GPYGPZBVNVLIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-19-7-10-22(11-8-19)32-26-17-20(2)31-29(35-26)34-24-14-12-23(13-15-24)33-28(36)21-9-16-27(30-18-21)37-25-5-3-4-6-25/h7-18,25H,3-6H2,1-2H3,(H,33,36)(H2,31,32,34,35).
What are the key properties of 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide?
6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 6.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122286864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).