4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide

C28H31N5O — CID 135372105

IUPAC4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(Nc3ccc(CN(C)C)cc3)c3cnccc3n2)cc1
InChIInChI=1S/C28H31N5O/c1-5-33(6-2)28(34)22-11-9-21(10-12-22)26-17-27(24-18-29-16-15-25(24)31-26)30-23-13-7-20(8-14-23)19-32(3)4/h7-18H,5-6,19H2,1-4H3,(H,30,31)
InChIKeyZPQOPUZPTWXPHA-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.58
Rot. Bonds8

About 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide

4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide (PubChem CID 135372105) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
PubChem CID135372105
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(Nc3ccc(CN(C)C)cc3)c3cnccc3n2)cc1
InChIInChI=1S/C28H31N5O/c1-5-33(6-2)28(34)22-11-9-21(10-12-22)26-17-27(24-18-29-16-15-25(24)31-26)30-23-13-7-20(8-14-23)19-32(3)4/h7-18H,5-6,19H2,1-4H3,(H,30,31)
InChIKeyZPQOPUZPTWXPHA-UHFFFAOYSA-N
XLogP5.58
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide
CID 135372770
N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
CID 135372997
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
CID 140502967
N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453993
4-[[4-(diethylcarbamoyl)anilino]methyl]benzoic acid
CID 122033517
(E)-N-(1-methylpiperidin-4-yl)-3-[4-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 142467277
N-ethyl-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]-N-(1-phenylpropan-2-yl)benzamide
CID 144674772
4-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-1,6-naphthyridin-2-yl]benzoic acid
CID 142467377
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
CID 109234765
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72915768

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide (CID 135372105) is 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(-c2cc(Nc3ccc(CN(C)C)cc3)c3cnccc3n2)cc1.
What is the InChIKey of 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
The InChIKey is ZPQOPUZPTWXPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-5-33(6-2)28(34)22-11-9-21(10-12-22)26-17-27(24-18-29-16-15-25(24)31-26)30-23-13-7-20(8-14-23)19-32(3)4/h7-18H,5-6,19H2,1-4H3,(H,30,31).
What are the key properties of 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide has a molecular weight of 453.59 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 135372105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).