N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide

C23H27N7O2 — CID 118324504

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2nc(-c3cncnc3)nc(N3CCC[C@@H]3C)c2C)c(=O)[nH]1
InChIInChI=1S/C23H27N7O2/c1-13-8-14(2)27-22(31)18(13)11-26-23(32)19-16(4)21(30-7-5-6-15(30)3)29-20(28-19)17-9-24-12-25-10-17/h8-10,12,15H,5-7,11H2,1-4H3,(H,26,32)(H,27,31)/t15-/m0/s1
InChIKeyVYNGHHZNZHDMPL-HNNXBMFYSA-N
MW433.52 g/mol
LogP2.47
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide (PubChem CID 118324504) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide
PubChem CID118324504
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2nc(-c3cncnc3)nc(N3CCC[C@@H]3C)c2C)c(=O)[nH]1
InChIInChI=1S/C23H27N7O2/c1-13-8-14(2)27-22(31)18(13)11-26-23(32)19-16(4)21(30-7-5-6-15(30)3)29-20(28-19)17-9-24-12-25-10-17/h8-10,12,15H,5-7,11H2,1-4H3,(H,26,32)(H,27,31)/t15-/m0/s1
InChIKeyVYNGHHZNZHDMPL-HNNXBMFYSA-N
XLogP2.47
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide (CID 118324504) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2nc(-c3cncnc3)nc(N3CCC[C@@H]3C)c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide?
The InChIKey is VYNGHHZNZHDMPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-13-8-14(2)27-22(31)18(13)11-26-23(32)19-16(4)21(30-7-5-6-15(30)3)29-20(28-19)17-9-24-12-25-10-17/h8-10,12,15H,5-7,11H2,1-4H3,(H,26,32)(H,27,31)/t15-/m0/s1.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 118324504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).