N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide

C16H12N6O — CID 122300920

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1cc2ccccn2c1
InChIInChI=1S/C16H12N6O/c23-15(12-7-14-3-1-2-5-21(14)10-12)20-13-8-18-16(19-9-13)22-6-4-17-11-22/h1-11H,(H,20,23)
InChIKeyMEVJKIHVGRNABN-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.17
Rot. Bonds3

About N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide

N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide (PubChem CID 122300920) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide
PubChem CID122300920
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1cc2ccccn2c1
InChIInChI=1S/C16H12N6O/c23-15(12-7-14-3-1-2-5-21(14)10-12)20-13-8-18-16(19-9-13)22-6-4-17-11-22/h1-11H,(H,20,23)
InChIKeyMEVJKIHVGRNABN-UHFFFAOYSA-N
XLogP2.17
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide
CID 122300937
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-nitrobenzamide
CID 122300962
2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
CID 121112607
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
CID 122300910
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122300796
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
CID 122322054
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122300799
N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122300931
N-(2-imidazol-1-ylpyrimidin-5-yl)cyclohexanecarboxamide
CID 121112570
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide (CID 122300920) is N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide is O=C(Nc1cnc(-n2ccnc2)nc1)c1cc2ccccn2c1.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide?
The InChIKey is MEVJKIHVGRNABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c23-15(12-7-14-3-1-2-5-21(14)10-12)20-13-8-18-16(19-9-13)22-6-4-17-11-22/h1-11H,(H,20,23).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide is sourced from PubChem (CID 122300920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).