N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine

C24H23N5O — CID 10982194

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
SMILESCOc1ccc(-c2cc3cccnc3nc2N/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H23N5O/c1-29(2)20-10-6-17(7-11-20)16-26-28-24-22(18-8-12-21(30-3)13-9-18)15-19-5-4-14-25-23(19)27-24/h4-16H,1-3H3,(H,25,27,28)/b26-16+
InChIKeyLAYZKDGUYXAFSG-WGOQTCKBSA-N
MW397.48 g/mol
LogP4.82
Rot. Bonds6

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine (PubChem CID 10982194) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
PubChem CID10982194
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
SMILESCOc1ccc(-c2cc3cccnc3nc2N/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H23N5O/c1-29(2)20-10-6-17(7-11-20)16-26-28-24-22(18-8-12-21(30-3)13-9-18)15-19-5-4-14-25-23(19)27-24/h4-16H,1-3H3,(H,25,27,28)/b26-16+
InChIKeyLAYZKDGUYXAFSG-WGOQTCKBSA-N
XLogP4.82
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
CID 10960641
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-chlorophenyl)-1,8-naphthyridin-2-amine
CID 11463797
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
(E)-3-(4-chlorophenyl)-1-[4-[[3-(4-methoxyphenyl)-1,8-naphthyridin-2-yl]amino]phenyl]prop-2-en-1-one
CID 11016471
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 10522535
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine
CID 6085383
N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine
CID 6899627
3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
CID 53357332
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine (CID 10982194) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine is COc1ccc(-c2cc3cccnc3nc2N/N=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine?
The InChIKey is LAYZKDGUYXAFSG-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H23N5O/c1-29(2)20-10-6-17(7-11-20)16-26-28-24-22(18-8-12-21(30-3)13-9-18)15-19-5-4-14-25-23(19)27-24/h4-16H,1-3H3,(H,25,27,28)/b26-16+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine has a molecular weight of 397.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine is sourced from PubChem (CID 10982194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).