N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide

C19H20F3N5O2 — CID 66646426

IUPACN-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide
SMILESCN1C(=O)C[C@@](C)(c2cccc(NC(=O)N3CC=CC=C3C(F)(F)F)c2)N=C1N
InChIInChI=1S/C19H20F3N5O2/c1-18(11-15(28)26(2)16(23)25-18)12-6-5-7-13(10-12)24-17(29)27-9-4-3-8-14(27)19(20,21)22/h3-8,10H,9,11H2,1-2H3,(H2,23,25)(H,24,29)/t18-/m0/s1
InChIKeyUBCPYVIJELKROP-SFHVURJKSA-N
MW407.40 g/mol
LogP2.93
Rot. Bonds2

About N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide

N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide (PubChem CID 66646426) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide
PubChem CID66646426
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC NameN-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide
SMILESCN1C(=O)C[C@@](C)(c2cccc(NC(=O)N3CC=CC=C3C(F)(F)F)c2)N=C1N
InChIInChI=1S/C19H20F3N5O2/c1-18(11-15(28)26(2)16(23)25-18)12-6-5-7-13(10-12)24-17(29)27-9-4-3-8-14(27)19(20,21)22/h3-8,10H,9,11H2,1-2H3,(H2,23,25)(H,24,29)/t18-/m0/s1
InChIKeyUBCPYVIJELKROP-SFHVURJKSA-N
XLogP2.93
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide (CID 66646426) is N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide is CN1C(=O)C[C@@](C)(c2cccc(NC(=O)N3CC=CC=C3C(F)(F)F)c2)N=C1N.
What is the InChIKey of N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide?
The InChIKey is UBCPYVIJELKROP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-18(11-15(28)26(2)16(23)25-18)12-6-5-7-13(10-12)24-17(29)27-9-4-3-8-14(27)19(20,21)22/h3-8,10H,9,11H2,1-2H3,(H2,23,25)(H,24,29)/t18-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide?
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-(trifluoromethyl)-2H-pyridine-1-carboxamide is sourced from PubChem (CID 66646426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).