N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C21H20Cl2N4O3 — CID 70240373

IUPACN-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOC1CCC(n2cc(C(=O)Nc3c(Cl)cncc3Cl)c(=O)c3cccnc32)CC1
InChIInChI=1S/C21H20Cl2N4O3/c1-30-13-6-4-12(5-7-13)27-11-15(19(28)14-3-2-8-25-20(14)27)21(29)26-18-16(22)9-24-10-17(18)23/h2-3,8-13H,4-7H2,1H3,(H,24,26,29)
InChIKeyNSVZKCILUMCZLJ-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.48
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide

N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 70240373) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID70240373
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOC1CCC(n2cc(C(=O)Nc3c(Cl)cncc3Cl)c(=O)c3cccnc32)CC1
InChIInChI=1S/C21H20Cl2N4O3/c1-30-13-6-4-12(5-7-13)27-11-15(19(28)14-3-2-8-25-20(14)27)21(29)26-18-16(22)9-24-10-17(18)23/h2-3,8-13H,4-7H2,1H3,(H,24,26,29)
InChIKeyNSVZKCILUMCZLJ-UHFFFAOYSA-N
XLogP4.48
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 70240373) is N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide is COC1CCC(n2cc(C(=O)Nc3c(Cl)cncc3Cl)c(=O)c3cccnc32)CC1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is NSVZKCILUMCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c1-30-13-6-4-12(5-7-13)27-11-15(19(28)14-3-2-8-25-20(14)27)21(29)26-18-16(22)9-24-10-17(18)23/h2-3,8-13H,4-7H2,1H3,(H,24,26,29).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 447.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 70240373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).