5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide

C17H18N4O2 — CID 95553441

IUPAC5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Cn2ccnc2)o1
InChIInChI=1S/C17H18N4O2/c1-13(14-4-3-7-18-10-14)20(2)17(22)16-6-5-15(23-16)11-21-9-8-19-12-21/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1
InChIKeyLGZHFSBQULODTG-ZDUSSCGKSA-N
MW310.36 g/mol
LogP2.75
Rot. Bonds5

About 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide

5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 95553441) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID95553441
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Cn2ccnc2)o1
InChIInChI=1S/C17H18N4O2/c1-13(14-4-3-7-18-10-14)20(2)17(22)16-6-5-15(23-16)11-21-9-8-19-12-21/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1
InChIKeyLGZHFSBQULODTG-ZDUSSCGKSA-N
XLogP2.75
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95216320
4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 136579493
4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 95195499
5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 32906703
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70746608
3-[(3S,4R)-1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72913156
ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate
CID 97029177
5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide
CID 95426777
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide
CID 95908382
[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 56743421
5-amino-N-methyl-1-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 154847565

Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 95553441) is 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide is C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Cn2ccnc2)o1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is LGZHFSBQULODTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13(14-4-3-7-18-10-14)20(2)17(22)16-6-5-15(23-16)11-21-9-8-19-12-21/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide?
5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 95553441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).