6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C22H23N5O — CID 112852815

IUPAC6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O/c28-22(24-15-16-10-12-23-13-11-16)19-14-20(25-18-8-4-5-9-18)27-21(26-19)17-6-2-1-3-7-17/h1-3,6-7,10-14,18H,4-5,8-9,15H2,(H,24,28)(H,25,26,27)
InChIKeyFIZOKHONGKXBFB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.82
Rot. Bonds6

About 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 112852815) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID112852815
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O/c28-22(24-15-16-10-12-23-13-11-16)19-14-20(25-18-8-4-5-9-18)27-21(26-19)17-6-2-1-3-7-17/h1-3,6-7,10-14,18H,4-5,8-9,15H2,(H,24,28)(H,25,26,27)
InChIKeyFIZOKHONGKXBFB-UHFFFAOYSA-N
XLogP3.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112854155
6-(cyclopentylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112110
5-(cyclohexylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109274849
N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
CID 5005272

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 112852815) is 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccncc1)c1cc(NC2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is FIZOKHONGKXBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(24-15-16-10-12-23-13-11-16)19-14-20(25-18-8-4-5-9-18)27-21(26-19)17-6-2-1-3-7-17/h1-3,6-7,10-14,18H,4-5,8-9,15H2,(H,24,28)(H,25,26,27).
What are the key properties of 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112852815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).