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

C19H18N2O3 — CID 95216320

IUPACN-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C19H18N2O3/c1-14(15-7-6-12-20-13-15)21(2)19(22)17-10-11-18(24-17)23-16-8-4-3-5-9-16/h3-14H,1-2H3/t14-/m0/s1
InChIKeyVKEAFGZGAOREQV-AWEZNQCLSA-N
MW322.36 g/mol
LogP4.30
Rot. Bonds5

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

N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 95216320) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID95216320
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C19H18N2O3/c1-14(15-7-6-12-20-13-15)21(2)19(22)17-10-11-18(24-17)23-16-8-4-3-5-9-16/h3-14H,1-2H3/t14-/m0/s1
InChIKeyVKEAFGZGAOREQV-AWEZNQCLSA-N
XLogP4.30
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95553441
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 166223936
N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide
CID 124614857
2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
CID 72877931
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 56741232
3-[2,6-di(propan-2-yl)phenyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95239166
3-(4-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97138639
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 95195499
1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea
CID 56783571

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 95216320) is N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide is C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Oc2ccccc2)o1.
What is the InChIKey of N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is VKEAFGZGAOREQV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-14(15-7-6-12-20-13-15)21(2)19(22)17-10-11-18(24-17)23-16-8-4-3-5-9-16/h3-14H,1-2H3/t14-/m0/s1.
What are the key properties of N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide?
N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 95216320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).