N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide

C20H17N5O2 — CID 95807786

IUPACN-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide
SMILESCN1c2ncccc2C(=O)N[C@@H]1c1ccccc1NC(=O)c1ccccn1
InChIInChI=1S/C20H17N5O2/c1-25-17-14(8-6-12-22-17)19(26)24-18(25)13-7-2-3-9-15(13)23-20(27)16-10-4-5-11-21-16/h2-12,18H,1H3,(H,23,27)(H,24,26)/t18-/m0/s1
InChIKeyBDALCAJXHNMWJA-SFHVURJKSA-N
MW359.39 g/mol
LogP2.61
Rot. Bonds3

About N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide

N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 95807786) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID95807786
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide
SMILESCN1c2ncccc2C(=O)N[C@@H]1c1ccccc1NC(=O)c1ccccn1
InChIInChI=1S/C20H17N5O2/c1-25-17-14(8-6-12-22-17)19(26)24-18(25)13-7-2-3-9-15(13)23-20(27)16-10-4-5-11-21-16/h2-12,18H,1H3,(H,23,27)(H,24,26)/t18-/m0/s1
InChIKeyBDALCAJXHNMWJA-SFHVURJKSA-N
XLogP2.61
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide (CID 95807786) is N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide is CN1c2ncccc2C(=O)N[C@@H]1c1ccccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is BDALCAJXHNMWJA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25-17-14(8-6-12-22-17)19(26)24-18(25)13-7-2-3-9-15(13)23-20(27)16-10-4-5-11-21-16/h2-12,18H,1H3,(H,23,27)(H,24,26)/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide?
N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 95807786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).