N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

C20H26N4O — CID 109256246

IUPACN-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)NC3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-15-8-10-16(11-9-15)12-21-20-22-13-17(14-23-20)19(25)24-18-6-4-2-3-5-7-18/h8-11,13-14,18H,2-7,12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQTCHFIBDYYTSMQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.85
Rot. Bonds5

About N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109256246) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109256246
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)NC3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-15-8-10-16(11-9-15)12-21-20-22-13-17(14-23-20)19(25)24-18-6-4-2-3-5-7-18/h8-11,13-14,18H,2-7,12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQTCHFIBDYYTSMQ-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-2-[(4-methylphenyl)methylamino]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-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109249542
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312
N-cyclooctyl-4-methylbenzamide
CID 3995245
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591
1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
CID 113026734
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109256246) is N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1ccc(CNc2ncc(C(=O)NC3CCCCCC3)cn2)cc1.
What is the InChIKey of N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is QTCHFIBDYYTSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-8-10-16(11-9-15)12-21-20-22-13-17(14-23-20)19(25)24-18-6-4-2-3-5-7-18/h8-11,13-14,18H,2-7,12H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).