N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide

C22H29N5O — CID 18566685

IUPACN-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)C3CCCC3)cc2)n1
InChIInChI=1S/C22H29N5O/c1-16-15-20(27-13-5-2-6-14-27)26-22(23-16)25-19-11-9-18(10-12-19)24-21(28)17-7-3-4-8-17/h9-12,15,17H,2-8,13-14H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyBOGLVQXPVHRAJR-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.65
Rot. Bonds5

About N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide

N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide (PubChem CID 18566685) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
PubChem CID18566685
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)C3CCCC3)cc2)n1
InChIInChI=1S/C22H29N5O/c1-16-15-20(27-13-5-2-6-14-27)26-22(23-16)25-19-11-9-18(10-12-19)24-21(28)17-7-3-4-8-17/h9-12,15,17H,2-8,13-14H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyBOGLVQXPVHRAJR-UHFFFAOYSA-N
XLogP4.65
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-oxocyclohexane-1-carboxamide
CID 122287632
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]oxane-4-carboxamide
CID 122288097
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide
CID 50748406
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclohexanecarboxamide
CID 27478105
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478347
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclopentanecarboxamide
CID 121032303
1-(3,5-difluorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 70702897
5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122287839
(3S)-1-(4-methoxyphenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122287560
1-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194155
2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032327
5-bromo-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 27478387

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide (CID 18566685) is N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)C3CCCC3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide?
The InChIKey is BOGLVQXPVHRAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16-15-20(27-13-5-2-6-14-27)26-22(23-16)25-19-11-9-18(10-12-19)24-21(28)17-7-3-4-8-17/h9-12,15,17H,2-8,13-14H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide?
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 18566685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).