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

C28H34FN5O2 — CID 135491792

IUPAC2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
SMILESCCN1CCCC(CNC(=O)c2ccc(-c3cc(N(C)c4ccc(C)cc4F)ccc3O)nc2N)C1
InChIInChI=1S/C28H34FN5O2/c1-4-34-13-5-6-19(17-34)16-31-28(36)21-9-10-24(32-27(21)30)22-15-20(8-12-26(22)35)33(3)25-11-7-18(2)14-23(25)29/h7-12,14-15,19,35H,4-6,13,16-17H2,1-3H3,(H2,30,32)(H,31,36)
InChIKeyWMGOEOGZQMINPO-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.71
Rot. Bonds7

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

2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 135491792) has the molecular formula C28H34FN5O2 and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID135491792
Molecular FormulaC28H34FN5O2
Molecular Weight491.61 g/mol
Exact Mass491.27
IUPAC Name2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
SMILESCCN1CCCC(CNC(=O)c2ccc(-c3cc(N(C)c4ccc(C)cc4F)ccc3O)nc2N)C1
InChIInChI=1S/C28H34FN5O2/c1-4-34-13-5-6-19(17-34)16-31-28(36)21-9-10-24(32-27(21)30)22-15-20(8-12-26(22)35)33(3)25-11-7-18(2)14-23(25)29/h7-12,14-15,19,35H,4-6,13,16-17H2,1-3H3,(H2,30,32)(H,31,36)
InChIKeyWMGOEOGZQMINPO-UHFFFAOYSA-N
XLogP4.71
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide (CID 135491792) is 2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide is CCN1CCCC(CNC(=O)c2ccc(-c3cc(N(C)c4ccc(C)cc4F)ccc3O)nc2N)C1.
What is the InChIKey of 2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is WMGOEOGZQMINPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O2/c1-4-34-13-5-6-19(17-34)16-31-28(36)21-9-10-24(32-27(21)30)22-15-20(8-12-26(22)35)33(3)25-11-7-18(2)14-23(25)29/h7-12,14-15,19,35H,4-6,13,16-17H2,1-3H3,(H2,30,32)(H,31,36).
What are the key properties of 2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 135491792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).