N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C23H23F3N6O2 — CID 127047789

IUPACN-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(-c3ccc(N)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H23F3N6O2/c1-31-6-8-32(9-7-31)19-4-2-14(15-3-5-20(27)28-12-15)10-18(19)30-22(34)16-13-29-21(33)11-17(16)23(24,25)26/h2-5,10-13H,6-9H2,1H3,(H2,27,28)(H,29,33)(H,30,34)
InChIKeyQAFVKRAWTPAXFL-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.04
Rot. Bonds4

About N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 127047789) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID127047789
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC NameN-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(-c3ccc(N)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H23F3N6O2/c1-31-6-8-32(9-7-31)19-4-2-14(15-3-5-20(27)28-12-15)10-18(19)30-22(34)16-13-29-21(33)11-17(16)23(24,25)26/h2-5,10-13H,6-9H2,1H3,(H2,27,28)(H,29,33)(H,30,34)
InChIKeyQAFVKRAWTPAXFL-UHFFFAOYSA-N
XLogP3.04
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 127047789) is N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN1CCN(c2ccc(-c3ccc(N)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QAFVKRAWTPAXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-31-6-8-32(9-7-31)19-4-2-14(15-3-5-20(27)28-12-15)10-18(19)30-22(34)16-13-29-21(33)11-17(16)23(24,25)26/h2-5,10-13H,6-9H2,1H3,(H2,27,28)(H,29,33)(H,30,34).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 127047789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).