N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide

C18H18N6O — CID 53171968

IUPACN-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C18H18N6O/c25-18(22-14-6-2-1-3-7-14)15-11-24(13-21-15)17-10-16(19-12-20-17)23-8-4-5-9-23/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,25)
InChIKeyGNAXAVLZYDGPSI-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.51
Rot. Bonds4

About N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide

N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide (PubChem CID 53171968) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
PubChem CID53171968
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C18H18N6O/c25-18(22-14-6-2-1-3-7-14)15-11-24(13-21-15)17-10-16(19-12-20-17)23-8-4-5-9-23/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,25)
InChIKeyGNAXAVLZYDGPSI-UHFFFAOYSA-N
XLogP2.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171985
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172092
N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172019
[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53171940
N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039
N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102212
N-(3,4-dimethoxyphenyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172007
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588
N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109355856

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide (CID 53171968) is N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide is O=C(Nc1ccccc1)c1cn(-c2cc(N3CCCC3)ncn2)cn1.
What is the InChIKey of N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The InChIKey is GNAXAVLZYDGPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(22-14-6-2-1-3-7-14)15-11-24(13-21-15)17-10-16(19-12-20-17)23-8-4-5-9-23/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,25).
What are the key properties of N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53171968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).