N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide

C21H21ClN4O5S — CID 169147582

IUPACN-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)nc2)cc2ccnc(OCC3(S(C)(=O)=O)CC3)c21
InChIInChI=1S/C21H21ClN4O5S/c1-26-17-14(5-8-23-19(17)31-12-21(6-7-21)32(2,29)30)9-15(20(26)28)18(27)25-11-13-3-4-16(22)24-10-13/h3-5,8-10H,6-7,11-12H2,1-2H3,(H,25,27)
InChIKeyOWQDOZYHJCQWIK-UHFFFAOYSA-N
MW476.94 g/mol
LogP1.87
Rot. Bonds7

About N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide

N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide (PubChem CID 169147582) has the molecular formula C21H21ClN4O5S and a molecular weight of 476.94 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
PubChem CID169147582
Molecular FormulaC21H21ClN4O5S
Molecular Weight476.94 g/mol
Exact Mass476.09
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)nc2)cc2ccnc(OCC3(S(C)(=O)=O)CC3)c21
InChIInChI=1S/C21H21ClN4O5S/c1-26-17-14(5-8-23-19(17)31-12-21(6-7-21)32(2,29)30)9-15(20(26)28)18(27)25-11-13-3-4-16(22)24-10-13/h3-5,8-10H,6-7,11-12H2,1-2H3,(H,25,27)
InChIKeyOWQDOZYHJCQWIK-UHFFFAOYSA-N
XLogP1.87
TPSA120.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.94
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[[1-methyl-3-[[4-(methylamino)phenyl]methylcarbamoyl]-2-oxo-1,7-naphthyridin-8-yl]oxymethyl]cyclopropane-1-sulfonyl chloride
CID 169147699
N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147212
8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147270
N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147027
N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147154
N-[(4-chlorophenyl)methyl]-8-[(1-cyclobutylsulfonylcyclopropyl)methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169146969
N-[(4-cyanophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147238
8-[[1-(cyanoamino)sulfanylcyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147353
N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[(1-pyrrolidin-1-ylsulfanylcyclopropyl)methoxy]-1,7-naphthyridine-3-carboxamide
CID 170101994
N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147204
N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147709
8-[[1-[tert-butyl(methyl)amino]sulfanylcyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169146998

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide (CID 169147582) is N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(Cl)nc2)cc2ccnc(OCC3(S(C)(=O)=O)CC3)c21.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
The InChIKey is OWQDOZYHJCQWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O5S/c1-26-17-14(5-8-23-19(17)31-12-21(6-7-21)32(2,29)30)9-15(20(26)28)18(27)25-11-13-3-4-16(22)24-10-13/h3-5,8-10H,6-7,11-12H2,1-2H3,(H,25,27).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 169147582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).