N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride

C23H29ClN4O — CID 146064283

IUPACN,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-6-27(7-2)23(28)20-14-24-22-19(13-8-16(5)25-22)21(20)26-18-11-9-17(10-12-18)15(3)4;/h8-15H,6-7H2,1-5H3,(H,24,25,26);1H
InChIKeyQEEBPBXJCKKQMC-UHFFFAOYSA-N
MW412.97 g/mol
LogP5.71
Rot. Bonds6

About N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride

N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride (PubChem CID 146064283) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride
PubChem CID146064283
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC NameN,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-6-27(7-2)23(28)20-14-24-22-19(13-8-16(5)25-22)21(20)26-18-11-9-17(10-12-18)15(3)4;/h8-15H,6-7H2,1-5H3,(H,24,25,26);1H
InChIKeyQEEBPBXJCKKQMC-UHFFFAOYSA-N
XLogP5.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.97
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064228
4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064240
4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064292
[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063932
propan-2-yl 4-(4-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063613
propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132137
propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063594
propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063644
propan-2-yl 4-(4-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063615
propan-2-yl 4-(4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132109
propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063553
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride (CID 146064283) is N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride is CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride?
The InChIKey is QEEBPBXJCKKQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.ClH/c1-6-27(7-2)23(28)20-14-24-22-19(13-8-16(5)25-22)21(20)26-18-11-9-17(10-12-18)15(3)4;/h8-15H,6-7H2,1-5H3,(H,24,25,26);1H.
What are the key properties of N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride?
N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride has a molecular weight of 412.97 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 146064283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).