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

C19H21N5O4 — CID 157354109

IUPACN-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid
SMILESCN1C(=O)C[C@@](C)(c2cccc(NC(=O)c3ccccn3)c2)N=C1N.O=CO
InChIInChI=1S/C18H19N5O2.CH2O2/c1-18(11-15(24)23(2)17(19)22-18)12-6-5-7-13(10-12)21-16(25)14-8-3-4-9-20-14;2-1-3/h3-10H,11H2,1-2H3,(H2,19,22)(H,21,25);1H,(H,2,3)/t18-;/m0./s1
InChIKeyBHWKPTOBACFKRE-FERBBOLQSA-N
MW383.41 g/mol
LogP1.43
Rot. Bonds3

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

N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid (PubChem CID 157354109) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid
PubChem CID157354109
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid
SMILESCN1C(=O)C[C@@](C)(c2cccc(NC(=O)c3ccccn3)c2)N=C1N.O=CO
InChIInChI=1S/C18H19N5O2.CH2O2/c1-18(11-15(24)23(2)17(19)22-18)12-6-5-7-13(10-12)21-16(25)14-8-3-4-9-20-14;2-1-3/h3-10H,11H2,1-2H3,(H2,19,22)(H,21,25);1H,(H,2,3)/t18-;/m0./s1
InChIKeyBHWKPTOBACFKRE-FERBBOLQSA-N
XLogP1.43
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide
CID 66644173
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 91116624
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-methylpyrazine-2-carboxamide
CID 75288554
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-[(Z)-3-methoxyprop-1-enyl]pyrazine-2-carboxamide
CID 70233615
N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]acetamide
CID 143213303
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazine-2-carboxamide
CID 70234156
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 70233635
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-1-methylthiophene-1-carboxamide
CID 66646924
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3,5-dimethoxypyridine-2-carboxamide
CID 45381259
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-6-chloro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 59570577
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 70234798
N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]formamide
CID 143213351

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid?
The IUPAC name of N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid (CID 157354109) is N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid.
What is the SMILES notation for N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid?
The canonical SMILES for N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid is CN1C(=O)C[C@@](C)(c2cccc(NC(=O)c3ccccn3)c2)N=C1N.O=CO.
What is the InChIKey of N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid?
The InChIKey is BHWKPTOBACFKRE-FERBBOLQSA-N. The full InChI is InChI=1S/C18H19N5O2.CH2O2/c1-18(11-15(24)23(2)17(19)22-18)12-6-5-7-13(10-12)21-16(25)14-8-3-4-9-20-14;2-1-3/h3-10H,11H2,1-2H3,(H2,19,22)(H,21,25);1H,(H,2,3)/t18-;/m0./s1.
What are the key properties of N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid?
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid has a molecular weight of 383.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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]pyridine-2-carboxamide;formic acid is sourced from PubChem (CID 157354109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).