N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide

C20H20N4O — CID 134369681

IUPACN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1
InChIInChI=1S/C20H20N4O/c1-14-8-17(12-21-10-14)20(25)22-11-15-4-2-5-16(9-15)18-13-24-7-3-6-19(24)23-18/h2,4-5,8-10,12-13H,3,6-7,11H2,1H3,(H,22,25)
InChIKeyVDHLGRKJCUPRLS-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.13
Rot. Bonds4

About N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide (PubChem CID 134369681) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide
PubChem CID134369681
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1
InChIInChI=1S/C20H20N4O/c1-14-8-17(12-21-10-14)20(25)22-11-15-4-2-5-16(9-15)18-13-24-7-3-6-19(24)23-18/h2,4-5,8-10,12-13H,3,6-7,11H2,1H3,(H,22,25)
InChIKeyVDHLGRKJCUPRLS-UHFFFAOYSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide (CID 134369681) is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1.
What is the InChIKey of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide?
The InChIKey is VDHLGRKJCUPRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-8-17(12-21-10-14)20(25)22-11-15-4-2-5-16(9-15)18-13-24-7-3-6-19(24)23-18/h2,4-5,8-10,12-13H,3,6-7,11H2,1H3,(H,22,25).
What are the key properties of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide?
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 134369681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).