4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride

C22H27ClN4O3 — CID 146064240

IUPAC4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C22H26N4O3.ClH/c1-6-26(7-2)22(27)17-13-23-21-16(10-8-14(3)24-21)20(17)25-15-9-11-18(28-4)19(12-15)29-5;/h8-13H,6-7H2,1-5H3,(H,23,24,25);1H
InChIKeyMXXIRBHRIFQHTP-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.60
Rot. Bonds7

About 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride

4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride (PubChem CID 146064240) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
PubChem CID146064240
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C22H26N4O3.ClH/c1-6-26(7-2)22(27)17-13-23-21-16(10-8-14(3)24-21)20(17)25-15-9-11-18(28-4)19(12-15)29-5;/h8-13H,6-7H2,1-5H3,(H,23,24,25);1H
InChIKeyMXXIRBHRIFQHTP-UHFFFAOYSA-N
XLogP4.60
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064283
N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064228
4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064292
methyl 4-(3-chloro-4-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063412
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401
propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063644
methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132011
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008
propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132137

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride (CID 146064240) is 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride is CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride?
The InChIKey is MXXIRBHRIFQHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.ClH/c1-6-26(7-2)22(27)17-13-23-21-16(10-8-14(3)24-21)20(17)25-15-9-11-18(28-4)19(12-15)29-5;/h8-13H,6-7H2,1-5H3,(H,23,24,25);1H.
What are the key properties of 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride?
4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride has a molecular weight of 430.94 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 146064240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).