N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide

C20H17N3O4 — CID 95122424

IUPACN-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
SMILESO=C1C[C@H](c2ccc(CO)o2)c2ccc(NC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C20H17N3O4/c24-11-14-4-6-18(27-14)16-9-19(25)23-17-8-13(3-5-15(16)17)22-20(26)12-2-1-7-21-10-12/h1-8,10,16,24H,9,11H2,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyJFASMZXKPXNTJA-INIZCTEOSA-N
MW363.37 g/mol
LogP2.89
Rot. Bonds4

About N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide

N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide (PubChem CID 95122424) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
PubChem CID95122424
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
SMILESO=C1C[C@H](c2ccc(CO)o2)c2ccc(NC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C20H17N3O4/c24-11-14-4-6-18(27-14)16-9-19(25)23-17-8-13(3-5-15(16)17)22-20(26)12-2-1-7-21-10-12/h1-8,10,16,24H,9,11H2,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyJFASMZXKPXNTJA-INIZCTEOSA-N
XLogP2.89
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
CID 171388372
N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
CID 95147469
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778271
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]pyridine-3-carboxamide
CID 28675230
2-methoxy-N-[(4S)-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 95127704
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
CID 17424246
N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)pyridine-3-carboxamide
CID 108765324
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-pyridin-3-ylprop-2-enamide
CID 18952464

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide (CID 95122424) is N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide is O=C1C[C@H](c2ccc(CO)o2)c2ccc(NC(=O)c3cccnc3)cc2N1.
What is the InChIKey of N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide?
The InChIKey is JFASMZXKPXNTJA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-11-14-4-6-18(27-14)16-9-19(25)23-17-8-13(3-5-15(16)17)22-20(26)12-2-1-7-21-10-12/h1-8,10,16,24H,9,11H2,(H,22,26)(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide?
N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95122424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).