2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide

C19H23N3O3 — CID 90652657

IUPAC2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-20-18-15(8-5-10-21-18)19(23)22-16-13-24-11-9-17(16)25-12-14-6-3-2-4-7-14/h2-8,10,16-17H,9,11-13H2,1H3,(H,20,21)(H,22,23)/t16-,17+/m1/s1
InChIKeyAKANCHBFWHZJQZ-SJORKVTESA-N
MW341.41 g/mol
LogP2.23
Rot. Bonds6

About 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide

2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide (PubChem CID 90652657) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide
PubChem CID90652657
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-20-18-15(8-5-10-21-18)19(23)22-16-13-24-11-9-17(16)25-12-14-6-3-2-4-7-14/h2-8,10,16-17H,9,11-13H2,1H3,(H,20,21)(H,22,23)/t16-,17+/m1/s1
InChIKeyAKANCHBFWHZJQZ-SJORKVTESA-N
XLogP2.23
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(Cycloheptylcarbamoyl)methyl 2-aminopyridine-3-carboxylate
CID 8147464
Nevirapin 4-substituted deriv. 4d
CID 464524
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
Nevirapin 4-substituted deriv. 4e
CID 464525
Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2544910
(S)-benzyl 4-(5-(2-aminophenylcarbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16066811
(R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16662634
(2S,5R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 16662687
(S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-isopropylpiperazine-1-carboxylate
CID 16662689
Benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,2-dimethylpiperazine-1-carboxylate
CID 16662806
6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569925

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide (CID 90652657) is 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide is CNc1ncccc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide?
The InChIKey is AKANCHBFWHZJQZ-SJORKVTESA-N. The full InChI is InChI=1S/C19H23N3O3/c1-20-18-15(8-5-10-21-18)19(23)22-16-13-24-11-9-17(16)25-12-14-6-3-2-4-7-14/h2-8,10,16-17H,9,11-13H2,1H3,(H,20,21)(H,22,23)/t16-,17+/m1/s1.
What are the key properties of 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide?
2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 90652657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).