N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide

C21H24N4O2 — CID 71080204

IUPACN-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1ccc2c(c1)C(CC1CN=CN1)CCO2
InChIInChI=1S/C21H24N4O2/c1-2-25(21(26)15-5-8-22-9-6-15)18-3-4-20-19(12-18)16(7-10-27-20)11-17-13-23-14-24-17/h3-6,8-9,12,14,16-17H,2,7,10-11,13H2,1H3,(H,23,24)
InChIKeyOVLHBQBELYEGMV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.00
Rot. Bonds5

About N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide

N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide (PubChem CID 71080204) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide
PubChem CID71080204
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1ccc2c(c1)C(CC1CN=CN1)CCO2
InChIInChI=1S/C21H24N4O2/c1-2-25(21(26)15-5-8-22-9-6-15)18-3-4-20-19(12-18)16(7-10-27-20)11-17-13-23-14-24-17/h3-6,8-9,12,14,16-17H,2,7,10-11,13H2,1H3,(H,23,24)
InChIKeyOVLHBQBELYEGMV-UHFFFAOYSA-N
XLogP3.00
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]pyridine-3-carboxamide
CID 59397409
N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide
CID 59397394
3-methoxypropyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
CID 59397310
N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17221980
3-cyano-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-2-methylguanidine
CID 89046376
2-chloro-N-ethyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 113236093
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
CID 59397399
N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
CID 103957153
2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 70287298
N-ethyl-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083104
N-ethyl-N-(3-methylphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103874

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide (CID 71080204) is N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide is CCN(C(=O)c1ccncc1)c1ccc2c(c1)C(CC1CN=CN1)CCO2.
What is the InChIKey of N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide?
The InChIKey is OVLHBQBELYEGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-25(21(26)15-5-8-22-9-6-15)18-3-4-20-19(12-18)16(7-10-27-20)11-17-13-23-14-24-17/h3-6,8-9,12,14,16-17H,2,7,10-11,13H2,1H3,(H,23,24).
What are the key properties of N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide?
N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 71080204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).