N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C14H15Cl2N3O2 — CID 7619271

IUPACN,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)N(CCCl)CCCl)cc2cccnc21
InChIInChI=1S/C14H15Cl2N3O2/c1-18-12-10(3-2-6-17-12)9-11(13(18)20)14(21)19(7-4-15)8-5-16/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyMCBFXGYREICIQF-UHFFFAOYSA-N
MW328.20 g/mol
LogP1.85
Rot. Bonds5

About N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7619271) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7619271
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC NameN,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)N(CCCl)CCCl)cc2cccnc21
InChIInChI=1S/C14H15Cl2N3O2/c1-18-12-10(3-2-6-17-12)9-11(13(18)20)14(21)19(7-4-15)8-5-16/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyMCBFXGYREICIQF-UHFFFAOYSA-N
XLogP1.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-methyl-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 18582865
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
N-ethyl-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619463
2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
CID 123276386
1-methyl-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7619447
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
N-(2-chlorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619491
N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619615
dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium
CID 7619386
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619297
1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619418
N-benzhydryl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619434

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7619271) is N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)N(CCCl)CCCl)cc2cccnc21.
What is the InChIKey of N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is MCBFXGYREICIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-18-12-10(3-2-6-17-12)9-11(13(18)20)14(21)19(7-4-15)8-5-16/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 328.20 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7619271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).