5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol

C21H25N5O — CID 142261651

IUPAC5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol
SMILESCNc1ccc(-c2cc3ncccc3c(NC3CCC(N)CC3)n2)cc1O
InChIInChI=1S/C21H25N5O/c1-23-17-9-4-13(11-20(17)27)18-12-19-16(3-2-10-24-19)21(26-18)25-15-7-5-14(22)6-8-15/h2-4,9-12,14-15,23,27H,5-8,22H2,1H3,(H,25,26)
InChIKeyJYOIEVAPIGSBAR-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.73
Rot. Bonds4

About 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol

5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol (PubChem CID 142261651) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol.

Molecular Properties

Compound Name5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol
PubChem CID142261651
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol
SMILESCNc1ccc(-c2cc3ncccc3c(NC3CCC(N)CC3)n2)cc1O
InChIInChI=1S/C21H25N5O/c1-23-17-9-4-13(11-20(17)27)18-12-19-16(3-2-10-24-19)21(26-18)25-15-7-5-14(22)6-8-15/h2-4,9-12,14-15,23,27H,5-8,22H2,1H3,(H,25,26)
InChIKeyJYOIEVAPIGSBAR-UHFFFAOYSA-N
XLogP3.73
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide
CID 91234911
N-[4-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]acetamide
CID 67353594
2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol
CID 142261723
3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine
CID 71642527
4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 69014190
4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine
CID 83838435
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
6-N-cyclopropylquinoline-5,6-diamine
CID 43809527
4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine
CID 113370712
3-(4-chlorophenyl)-N-cyclohexylisoquinolin-1-amine
CID 53475014
2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
CID 143796174
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol?
The IUPAC name of 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol (CID 142261651) is 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol.
What is the SMILES notation for 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol?
The canonical SMILES for 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol is CNc1ccc(-c2cc3ncccc3c(NC3CCC(N)CC3)n2)cc1O.
What is the InChIKey of 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol?
The InChIKey is JYOIEVAPIGSBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-23-17-9-4-13(11-20(17)27)18-12-19-16(3-2-10-24-19)21(26-18)25-15-7-5-14(22)6-8-15/h2-4,9-12,14-15,23,27H,5-8,22H2,1H3,(H,25,26).
What are the key properties of 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol?
5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol has a molecular weight of 363.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-aminocyclohexyl)amino]-1,6-naphthyridin-7-yl]-2-(methylamino)phenol is sourced from PubChem (CID 142261651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).