2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide

C27H28FN5O2 — CID 135487392

IUPAC2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
SMILESCc1ccc(N(C)c2ccc(O)c(-c3ccc(C(=O)NCc4ccc(C)n4C)c(N)n3)c2)c(F)c1
InChIInChI=1S/C27H28FN5O2/c1-16-5-11-24(22(28)13-16)33(4)18-8-12-25(34)21(14-18)23-10-9-20(26(29)31-23)27(35)30-15-19-7-6-17(2)32(19)3/h5-14,34H,15H2,1-4H3,(H2,29,31)(H,30,35)
InChIKeyYSGPTKOYYUPKIE-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.83
Rot. Bonds6

About 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide

2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 135487392) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID135487392
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
SMILESCc1ccc(N(C)c2ccc(O)c(-c3ccc(C(=O)NCc4ccc(C)n4C)c(N)n3)c2)c(F)c1
InChIInChI=1S/C27H28FN5O2/c1-16-5-11-24(22(28)13-16)33(4)18-8-12-25(34)21(14-18)23-10-9-20(26(29)31-23)27(35)30-15-19-7-6-17(2)32(19)3/h5-14,34H,15H2,1-4H3,(H2,29,31)(H,30,35)
InChIKeyYSGPTKOYYUPKIE-UHFFFAOYSA-N
XLogP4.83
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135461278
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
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide
CID 142681694
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
tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate
CID 142680286
N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide
CID 136501125
N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide
CID 135491763
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 31233255
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide
CID 67403099
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide
CID 31218102

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide (CID 135487392) is 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide is Cc1ccc(N(C)c2ccc(O)c(-c3ccc(C(=O)NCc4ccc(C)n4C)c(N)n3)c2)c(F)c1.
What is the InChIKey of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is YSGPTKOYYUPKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-16-5-11-24(22(28)13-16)33(4)18-8-12-25(34)21(14-18)23-10-9-20(26(29)31-23)27(35)30-15-19-7-6-17(2)32(19)3/h5-14,34H,15H2,1-4H3,(H2,29,31)(H,30,35).
What are the key properties of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 135487392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).