N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C27H23FN10O2 — CID 135256669

IUPACN-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc[nH]c(=O)c2)nc(-c2ccc(C(=O)NC(C)c3cnc(-c4cc(F)cnc4C)nn3)nc2)n1
InChIInChI=1S/C27H23FN10O2/c1-14-8-23(35-19-6-7-29-24(39)10-19)36-25(33-14)17-4-5-21(31-11-17)27(40)34-16(3)22-13-32-26(38-37-22)20-9-18(28)12-30-15(20)2/h4-13,16H,1-3H3,(H,34,40)(H2,29,33,35,36,39)
InChIKeyRDDLOAOQFJDDBQ-UHFFFAOYSA-N
MW538.55 g/mol
LogP3.46
Rot. Bonds7

About N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 135256669) has the molecular formula C27H23FN10O2 and a molecular weight of 538.55 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID135256669
Molecular FormulaC27H23FN10O2
Molecular Weight538.55 g/mol
Exact Mass538.20
IUPAC NameN-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc[nH]c(=O)c2)nc(-c2ccc(C(=O)NC(C)c3cnc(-c4cc(F)cnc4C)nn3)nc2)n1
InChIInChI=1S/C27H23FN10O2/c1-14-8-23(35-19-6-7-29-24(39)10-19)36-25(33-14)17-4-5-21(31-11-17)27(40)34-16(3)22-13-32-26(38-37-22)20-9-18(28)12-30-15(20)2/h4-13,16H,1-3H3,(H,34,40)(H2,29,33,35,36,39)
InChIKeyRDDLOAOQFJDDBQ-UHFFFAOYSA-N
XLogP3.46
TPSA164.22 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.55
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 135256669) is N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is Cc1cc(Nc2cc[nH]c(=O)c2)nc(-c2ccc(C(=O)NC(C)c3cnc(-c4cc(F)cnc4C)nn3)nc2)n1.
What is the InChIKey of N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is RDDLOAOQFJDDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN10O2/c1-14-8-23(35-19-6-7-29-24(39)10-19)36-25(33-14)17-4-5-21(31-11-17)27(40)34-16(3)22-13-32-26(38-37-22)20-9-18(28)12-30-15(20)2/h4-13,16H,1-3H3,(H,34,40)(H2,29,33,35,36,39).
What are the key properties of N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 538.55 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-fluoro-2-methyl-3-pyridinyl)-1,2,4-triazin-6-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135256669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).