N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide

C21H23N3O3 — CID 664893

IUPACN-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)C(C)(C)C)cc2c1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)24(20(26)14-7-9-22-10-8-14)13-16-11-15-12-17(27-4)5-6-18(15)23-19(16)25/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyNXPPEEWRYQGWRE-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.37
Rot. Bonds4

About N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide

N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 664893) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID664893
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)C(C)(C)C)cc2c1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)24(20(26)14-7-9-22-10-8-14)13-16-11-15-12-17(27-4)5-6-18(15)23-19(16)25/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyNXPPEEWRYQGWRE-UHFFFAOYSA-N
XLogP3.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
1-(1-Isonicotinoylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 44468933
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
(2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carboxylate
CID 2904443
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 2303641
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
N-Ethyl-N-isopropyl-3-methyl-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide
CID 9820034
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide (CID 664893) is N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide is COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)C(C)(C)C)cc2c1.
What is the InChIKey of N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is NXPPEEWRYQGWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-21(2,3)24(20(26)14-7-9-22-10-8-14)13-16-11-15-12-17(27-4)5-6-18(15)23-19(16)25/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 664893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).