2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide

C25H30FN5O2 — CID 135461278

IUPAC2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
SMILESCc1ccc(N(C)c2ccc(O)c(-c3ccc(C(=O)NCCCN(C)C)c(N)n3)c2)c(F)c1
InChIInChI=1S/C25H30FN5O2/c1-16-6-10-22(20(26)14-16)31(4)17-7-11-23(32)19(15-17)21-9-8-18(24(27)29-21)25(33)28-12-5-13-30(2)3/h6-11,14-15,32H,5,12-13H2,1-4H3,(H2,27,29)(H,28,33)
InChIKeyPSGSJOPUBGHAJL-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.93
Rot. Bonds8

About 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide

2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 135461278) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID135461278
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
SMILESCc1ccc(N(C)c2ccc(O)c(-c3ccc(C(=O)NCCCN(C)C)c(N)n3)c2)c(F)c1
InChIInChI=1S/C25H30FN5O2/c1-16-6-10-22(20(26)14-16)31(4)17-7-11-23(32)19(15-17)21-9-8-18(24(27)29-21)25(33)28-12-5-13-30(2)3/h6-11,14-15,32H,5,12-13H2,1-4H3,(H2,27,29)(H,28,33)
InChIKeyPSGSJOPUBGHAJL-UHFFFAOYSA-N
XLogP3.93
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135487392
2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135491792
2-amino-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]-N-[[1-[2-(methylamino)ethyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 135520198
tert-butyl 4-[2-[[2-amino-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]-3-pyridinyl]methylamino]-2-oxoethyl]piperidine-1-carboxylate
CID 135508165
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 154457851
tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate
CID 142680286
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 113251010
N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
CID 62510706
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide (CID 135461278) is 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide is Cc1ccc(N(C)c2ccc(O)c(-c3ccc(C(=O)NCCCN(C)C)c(N)n3)c2)c(F)c1.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is PSGSJOPUBGHAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-16-6-10-22(20(26)14-16)31(4)17-7-11-23(32)19(15-17)21-9-8-18(24(27)29-21)25(33)28-12-5-13-30(2)3/h6-11,14-15,32H,5,12-13H2,1-4H3,(H2,27,29)(H,28,33).
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 135461278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).