N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C17H20N4O — CID 109297498

IUPACN-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C17H20N4O/c22-16(18-10-8-14-6-2-1-3-7-14)15-9-11-19-17(20-15)21-12-4-5-13-21/h1-3,6-7,9,11H,4-5,8,10,12-13H2,(H,18,22)
InChIKeyUDKZBVYNDQZVRA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.05
Rot. Bonds5

About N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109297498) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109297498
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C17H20N4O/c22-16(18-10-8-14-6-2-1-3-7-14)15-9-11-19-17(20-15)21-12-4-5-13-21/h1-3,6-7,9,11H,4-5,8,10,12-13H2,(H,18,22)
InChIKeyUDKZBVYNDQZVRA-UHFFFAOYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109307879
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297501
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298268
4-[[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]methyl]benzoic acid
CID 119353448
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109303008
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299498
2-(4-benzylpiperazin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109309418
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299826
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302046
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109297498) is N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(NCCc1ccccc1)c1ccnc(N2CCCC2)n1.
What is the InChIKey of N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is UDKZBVYNDQZVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-16(18-10-8-14-6-2-1-3-7-14)15-9-11-19-17(20-15)21-12-4-5-13-21/h1-3,6-7,9,11H,4-5,8,10,12-13H2,(H,18,22).
What are the key properties of N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109297498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).