N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide

C21H27N5O2 — CID 98073085

IUPACN,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C)c(C2CCC(CNC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-14-23-13-17(21(28)26(2)3)19(25-14)16-9-7-15(8-10-16)12-24-20(27)18-6-4-5-11-22-18/h4-6,11,13,15-16H,7-10,12H2,1-3H3,(H,24,27)
InChIKeyPIBIRABOBQNDOD-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.59
Rot. Bonds5

About N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide

N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide (PubChem CID 98073085) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
PubChem CID98073085
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C)c(C2CCC(CNC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-14-23-13-17(21(28)26(2)3)19(25-14)16-9-7-15(8-10-16)12-24-20(27)18-6-4-5-11-22-18/h4-6,11,13,15-16H,7-10,12H2,1-3H3,(H,24,27)
InChIKeyPIBIRABOBQNDOD-UHFFFAOYSA-N
XLogP2.59
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-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

N-[[4-[5-(dimethylcarbamoyl)-2-methylpyrimidin-4-yl]cyclohexyl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 98072822
N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 98073104
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
CID 98063822
N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 110216371
4-cyclopropyl-2-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidine-5-carboxamide
CID 166246892
N,N-diethyl-2-propan-2-yl-4-[4-[(pyridine-4-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 98073110
4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide
CID 129480454
3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133554
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 98076075
2-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]acetamide
CID 98133547
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide?
The IUPAC name of N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide (CID 98073085) is N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)C)c(C2CCC(CNC(=O)c3ccccn3)CC2)n1.
What is the InChIKey of N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide?
The InChIKey is PIBIRABOBQNDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-23-13-17(21(28)26(2)3)19(25-14)16-9-7-15(8-10-16)12-24-20(27)18-6-4-5-11-22-18/h4-6,11,13,15-16H,7-10,12H2,1-3H3,(H,24,27).
What are the key properties of N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide?
N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 98073085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).