N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C21H20N4O — CID 91628590

IUPACN-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C21H20N4O/c26-21(19-14-20(23-15-22-19)25-12-6-7-13-25)24-18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2,(H,24,26)
InChIKeyIBTFOENWYWZKDB-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.00
Rot. Bonds4

About N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 91628590) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID91628590
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C21H20N4O/c26-21(19-14-20(23-15-22-19)25-12-6-7-13-25)24-18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2,(H,24,26)
InChIKeyIBTFOENWYWZKDB-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027928
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109355509
6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 121167320
N-(2-chlorophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345639
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
ethyl 4-[6-[(2-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352823
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109353119
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 91628590) is N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1cc(N2CCCC2)ncn1.
What is the InChIKey of N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is IBTFOENWYWZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(19-14-20(23-15-22-19)25-12-6-7-13-25)24-18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2,(H,24,26).
What are the key properties of N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91628590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).