1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine

C24H30N4 — CID 154449672

IUPAC1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine
SMILESC1=Cc2cnc(Nc3ccc(N4CCCC4)cc3)cc2N(C2CCCCC2)C1
InChIInChI=1S/C24H30N4/c1-2-8-22(9-3-1)28-16-6-7-19-18-25-24(17-23(19)28)26-20-10-12-21(13-11-20)27-14-4-5-15-27/h6-7,10-13,17-18,22H,1-5,8-9,14-16H2,(H,25,26)
InChIKeyJGOHWTRAIBSQER-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.59
Rot. Bonds4

About 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine

1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine (PubChem CID 154449672) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine
PubChem CID154449672
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine
SMILESC1=Cc2cnc(Nc3ccc(N4CCCC4)cc3)cc2N(C2CCCCC2)C1
InChIInChI=1S/C24H30N4/c1-2-8-22(9-3-1)28-16-6-7-19-18-25-24(17-23(19)28)26-20-10-12-21(13-11-20)27-14-4-5-15-27/h6-7,10-13,17-18,22H,1-5,8-9,14-16H2,(H,25,26)
InChIKeyJGOHWTRAIBSQER-UHFFFAOYSA-N
XLogP5.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124742
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
1-cyclopentyl-7-(4-morpholin-4-ylanilino)-1,6-naphthyridin-2-one
CID 46701508
1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124727
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507
4-N-cycloheptyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112863913
1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124675
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124688
2-[[6-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112866933
2-N-cyclopentyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112909930

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine?
The IUPAC name of 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine (CID 154449672) is 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine.
What is the SMILES notation for 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine?
The canonical SMILES for 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine is C1=Cc2cnc(Nc3ccc(N4CCCC4)cc3)cc2N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine?
The InChIKey is JGOHWTRAIBSQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-2-8-22(9-3-1)28-16-6-7-19-18-25-24(17-23(19)28)26-20-10-12-21(13-11-20)27-14-4-5-15-27/h6-7,10-13,17-18,22H,1-5,8-9,14-16H2,(H,25,26).
What are the key properties of 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine?
1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine has a molecular weight of 374.53 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine is sourced from PubChem (CID 154449672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).