N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C18H21N5O3 — CID 122319413

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ncc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c(N(C)C)n1
InChIInChI=1S/C18H21N5O3/c1-22(2)16-14(10-19-18(21-16)26-3)20-17(25)12-9-15(24)23(11-12)13-7-5-4-6-8-13/h4-8,10,12H,9,11H2,1-3H3,(H,20,25)
InChIKeyMTGHJPFLTHKMGI-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.54
Rot. Bonds5

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 122319413) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID122319413
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ncc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c(N(C)C)n1
InChIInChI=1S/C18H21N5O3/c1-22(2)16-14(10-19-18(21-16)26-3)20-17(25)12-9-15(24)23(11-12)13-7-5-4-6-8-13/h4-8,10,12H,9,11H2,1-3H3,(H,20,25)
InChIKeyMTGHJPFLTHKMGI-UHFFFAOYSA-N
XLogP1.54
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122319738
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide
CID 122319488
1-(3-bromophenyl)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 122319995
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122356253
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
methyl 4,5-dimethoxy-2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoate
CID 46687125
(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 34909716
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
(3S)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42588888
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 122319413) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is COc1ncc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is MTGHJPFLTHKMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-22(2)16-14(10-19-18(21-16)26-3)20-17(25)12-9-15(24)23(11-12)13-7-5-4-6-8-13/h4-8,10,12H,9,11H2,1-3H3,(H,20,25).
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122319413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).