N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide

C19H18N4O — CID 51085905

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(-n2ccnc2)c1)C1CCc2ccccc21
InChIInChI=1S/C19H18N4O/c1-22(17-7-6-14-4-2-3-5-16(14)17)19(24)15-8-9-21-18(12-15)23-11-10-20-13-23/h2-5,8-13,17H,6-7H2,1H3
InChIKeyHJQKGOOFTUAELV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.03
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide (PubChem CID 51085905) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide
PubChem CID51085905
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(-n2ccnc2)c1)C1CCc2ccccc21
InChIInChI=1S/C19H18N4O/c1-22(17-7-6-14-4-2-3-5-16(14)17)19(24)15-8-9-21-18(12-15)23-11-10-20-13-23/h2-5,8-13,17H,6-7H2,1H3
InChIKeyHJQKGOOFTUAELV-UHFFFAOYSA-N
XLogP3.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide (CID 51085905) is N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccnc(-n2ccnc2)c1)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide?
The InChIKey is HJQKGOOFTUAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-22(17-7-6-14-4-2-3-5-16(14)17)19(24)15-8-9-21-18(12-15)23-11-10-20-13-23/h2-5,8-13,17H,6-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 51085905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).