N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide

C22H27N5O2 — CID 25182778

IUPACN-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1
InChIInChI=1S/C22H27N5O2/c23-21(28)16-8-10-17(11-9-16)26-22(29)19-12-20(25-14-24-19)27(13-15-6-7-15)18-4-2-1-3-5-18/h8-12,14-15,18H,1-7,13H2,(H2,23,28)(H,26,29)
InChIKeyRVGPRODDRDZBQK-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.38
Rot. Bonds7

About N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide

N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide (PubChem CID 25182778) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
PubChem CID25182778
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1
InChIInChI=1S/C22H27N5O2/c23-21(28)16-8-10-17(11-9-16)26-22(29)19-12-20(25-14-24-19)27(13-15-6-7-15)18-4-2-1-3-5-18/h8-12,14-15,18H,1-7,13H2,(H2,23,28)(H,26,29)
InChIKeyRVGPRODDRDZBQK-UHFFFAOYSA-N
XLogP3.38
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide (CID 25182778) is N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide is NC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is RVGPRODDRDZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c23-21(28)16-8-10-17(11-9-16)26-22(29)19-12-20(25-14-24-19)27(13-15-6-7-15)18-4-2-1-3-5-18/h8-12,14-15,18H,1-7,13H2,(H2,23,28)(H,26,29).
What are the key properties of N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide?
N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 25182778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).