N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide

C21H21N3O3 — CID 155964139

IUPACN-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)Nc2ccc([C@H](C)N)cc2)c(=O)[nH]1
InChIInChI=1S/C21H21N3O3/c1-13(22)14-7-9-15(10-8-14)23-20(25)17-11-12-18(24-21(17)26)16-5-3-4-6-19(16)27-2/h3-13H,22H2,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyLVDPDOHAAZTNII-ZDUSSCGKSA-N
MW363.42 g/mol
LogP3.32
Rot. Bonds5

About N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 155964139) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID155964139
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)Nc2ccc([C@H](C)N)cc2)c(=O)[nH]1
InChIInChI=1S/C21H21N3O3/c1-13(22)14-7-9-15(10-8-14)23-20(25)17-11-12-18(24-21(17)26)16-5-3-4-6-19(16)27-2/h3-13H,22H2,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyLVDPDOHAAZTNII-ZDUSSCGKSA-N
XLogP3.32
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide
CID 82518702
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597
N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide
CID 43822918
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55758693
N-(2-methoxyphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498056
N-[3-[(1S)-1-methoxyethyl]phenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 95290166
N-(4-amino-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736650
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55917067
N-[4-(1-aminoethyl)phenyl]-2-dodecoxybenzamide
CID 139738647
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 155964139) is N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide is COc1ccccc1-c1ccc(C(=O)Nc2ccc([C@H](C)N)cc2)c(=O)[nH]1.
What is the InChIKey of N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LVDPDOHAAZTNII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13(22)14-7-9-15(10-8-14)23-20(25)17-11-12-18(24-21(17)26)16-5-3-4-6-19(16)27-2/h3-13H,22H2,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1.
What are the key properties of N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155964139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).