N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide

C23H23N5O3 — CID 10273455

IUPACN-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
SMILESCc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3cccnc3)C1)c1ccncc21
InChIInChI=1S/C23H23N5O3/c1-14-20-21(27-31-14)18-13-25-9-7-19(18)28(23(20)30)17-6-2-4-15(10-17)11-26-22(29)16-5-3-8-24-12-16/h3,5,7-9,12-13,15,17H,2,4,6,10-11H2,1H3,(H,26,29)
InChIKeyIJNVKLRWVCFZEZ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.40
Rot. Bonds4

About N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide

N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide (PubChem CID 10273455) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
PubChem CID10273455
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
SMILESCc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3cccnc3)C1)c1ccncc21
InChIInChI=1S/C23H23N5O3/c1-14-20-21(27-31-14)18-13-25-9-7-19(18)28(23(20)30)17-6-2-4-15(10-17)11-26-22(29)16-5-3-8-24-12-16/h3,5,7-9,12-13,15,17H,2,4,6,10-11H2,1H3,(H,26,29)
InChIKeyIJNVKLRWVCFZEZ-UHFFFAOYSA-N
XLogP3.40
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(9-cyano-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
CID 139958180
N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide
CID 22713974
5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one
CID 22170137
[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid
CID 22170149
N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 139958335
N-[[(1R,3S)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
CID 139958260
N-[[(1S,3R)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 139958339
N-[[(1S,3R)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 20729689
N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide
CID 139958264
N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 23912725
5-[3-(azidomethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22714175
5-[3-(benzenesulfonylmethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713712

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide (CID 10273455) is N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide is Cc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3cccnc3)C1)c1ccncc21.
What is the InChIKey of N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide?
The InChIKey is IJNVKLRWVCFZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14-20-21(27-31-14)18-13-25-9-7-19(18)28(23(20)30)17-6-2-4-15(10-17)11-26-22(29)16-5-3-8-24-12-16/h3,5,7-9,12-13,15,17H,2,4,6,10-11H2,1H3,(H,26,29).
What are the key properties of N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide?
N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 10273455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).