N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide

C22H27N5O3 — CID 24963847

IUPACN-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)NC3CCCCC3NC(=O)C3CC3)n2)c1
InChIInChI=1S/C22H27N5O3/c1-30-16-6-4-5-15(13-16)24-22-23-12-11-19(27-22)21(29)26-18-8-3-2-7-17(18)25-20(28)14-9-10-14/h4-6,11-14,17-18H,2-3,7-10H2,1H3,(H,25,28)(H,26,29)(H,23,24,27)
InChIKeyGFBFARSHUXRJIF-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.80
Rot. Bonds7

About N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide

N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 24963847) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID24963847
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)NC3CCCCC3NC(=O)C3CC3)n2)c1
InChIInChI=1S/C22H27N5O3/c1-30-16-6-4-5-15(13-16)24-22-23-12-11-19(27-22)21(29)26-18-8-3-2-7-17(18)25-20(28)14-9-10-14/h4-6,11-14,17-18H,2-3,7-10H2,1H3,(H,25,28)(H,26,29)(H,23,24,27)
InChIKeyGFBFARSHUXRJIF-UHFFFAOYSA-N
XLogP2.80
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide
CID 68960796
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109317648
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
CID 66550429

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 24963847) is N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2nccc(C(=O)NC3CCCCC3NC(=O)C3CC3)n2)c1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is GFBFARSHUXRJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-30-16-6-4-5-15(13-16)24-22-23-12-11-19(27-22)21(29)26-18-8-3-2-7-17(18)25-20(28)14-9-10-14/h4-6,11-14,17-18H,2-3,7-10H2,1H3,(H,25,28)(H,26,29)(H,23,24,27).
What are the key properties of N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 24963847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).