6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide

C19H24N6O3 — CID 118336748

IUPAC6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2ncnc(N3CCC[C@@H]3C(N)=O)c2C)c(=O)[nH]1
InChIInChI=1S/C19H24N6O3/c1-10-7-11(2)24-18(27)13(10)8-21-19(28)15-12(3)17(23-9-22-15)25-6-4-5-14(25)16(20)26/h7,9,14H,4-6,8H2,1-3H3,(H2,20,26)(H,21,28)(H,24,27)/t14-/m1/s1
InChIKeyMXQMNQLZMZMDMQ-CQSZACIVSA-N
MW384.44 g/mol
LogP0.47
Rot. Bonds5

About 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide

6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide (PubChem CID 118336748) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide
PubChem CID118336748
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2ncnc(N3CCC[C@@H]3C(N)=O)c2C)c(=O)[nH]1
InChIInChI=1S/C19H24N6O3/c1-10-7-11(2)24-18(27)13(10)8-21-19(28)15-12(3)17(23-9-22-15)25-6-4-5-14(25)16(20)26/h7,9,14H,4-6,8H2,1-3H3,(H2,20,26)(H,21,28)(H,24,27)/t14-/m1/s1
InChIKeyMXQMNQLZMZMDMQ-CQSZACIVSA-N
XLogP0.47
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide (CID 118336748) is 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2ncnc(N3CCC[C@@H]3C(N)=O)c2C)c(=O)[nH]1.
What is the InChIKey of 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide?
The InChIKey is MXQMNQLZMZMDMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-10-7-11(2)24-18(27)13(10)8-21-19(28)15-12(3)17(23-9-22-15)25-6-4-5-14(25)16(20)26/h7,9,14H,4-6,8H2,1-3H3,(H2,20,26)(H,21,28)(H,24,27)/t14-/m1/s1.
What are the key properties of 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide?
6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-carbamoylpyrrolidin-1-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 118336748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).