N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C19H21FN2O3 — CID 71852475

IUPACN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)c2ccc(OCC3CC3)c(F)c2)c[nH]1
InChIInChI=1S/C19H21FN2O3/c1-11-7-17(23)15(9-21-11)19(24)22-12(2)14-5-6-18(16(20)8-14)25-10-13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKNYKVJXFRDKRQT-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.10
Rot. Bonds6

About N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 71852475) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID71852475
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)c2ccc(OCC3CC3)c(F)c2)c[nH]1
InChIInChI=1S/C19H21FN2O3/c1-11-7-17(23)15(9-21-11)19(24)22-12(2)14-5-6-18(16(20)8-14)25-10-13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKNYKVJXFRDKRQT-UHFFFAOYSA-N
XLogP3.10
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide
CID 119163719
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71919678
(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638097
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 97065846
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120638103
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 95906203
1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol
CID 106929835
N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696395
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 71852475) is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(C)c2ccc(OCC3CC3)c(F)c2)c[nH]1.
What is the InChIKey of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KNYKVJXFRDKRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-11-7-17(23)15(9-21-11)19(24)22-12(2)14-5-6-18(16(20)8-14)25-10-13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71852475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).