5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide

C17H17ClN4O2 — CID 95763382

IUPAC5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)o1)[C@@H](c1cccnc1)c1nccn1C
InChIInChI=1S/C17H17ClN4O2/c1-3-22(17(23)13-6-7-14(18)24-13)15(12-5-4-8-19-11-12)16-20-9-10-21(16)2/h4-11,15H,3H2,1-2H3/t15-/m0/s1
InChIKeyVDVLDPDBVPYJJE-HNNXBMFYSA-N
MW344.80 g/mol
LogP3.31
Rot. Bonds5

About 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide

5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide (PubChem CID 95763382) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide
PubChem CID95763382
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)o1)[C@@H](c1cccnc1)c1nccn1C
InChIInChI=1S/C17H17ClN4O2/c1-3-22(17(23)13-6-7-14(18)24-13)15(12-5-4-8-19-11-12)16-20-9-10-21(16)2/h4-11,15H,3H2,1-2H3/t15-/m0/s1
InChIKeyVDVLDPDBVPYJJE-HNNXBMFYSA-N
XLogP3.31
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.31
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,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
4-[[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]methyl]benzoic acid
CID 122021129
5-bromo-N-[(S)-(4-fluoro-3-methylphenyl)-pyridin-3-ylmethyl]-N-propylfuran-2-carboxamide
CID 95781011
(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404141
(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone
CID 106689394
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 99928466
1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 99788947
2-[[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-propan-2-ylamino]acetic acid
CID 120580844
1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105149668
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide (CID 95763382) is 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide is CCN(C(=O)c1ccc(Cl)o1)[C@@H](c1cccnc1)c1nccn1C.
What is the InChIKey of 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide?
The InChIKey is VDVLDPDBVPYJJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-3-22(17(23)13-6-7-14(18)24-13)15(12-5-4-8-19-11-12)16-20-9-10-21(16)2/h4-11,15H,3H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide?
5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-[(S)-(1-methylimidazol-2-yl)-pyridin-3-ylmethyl]furan-2-carboxamide is sourced from PubChem (CID 95763382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).