N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C18H18N6O2 — CID 72903376

IUPACN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cn2cccnc2n1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C18H18N6O2/c25-16-7-14(11-24(16)10-13-3-1-4-19-8-13)17(26)21-9-15-12-23-6-2-5-20-18(23)22-15/h1-6,8,12,14H,7,9-11H2,(H,21,26)
InChIKeyUZGSWDDKHOZARV-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.79
Rot. Bonds5

About N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72903376) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72903376
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cn2cccnc2n1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C18H18N6O2/c25-16-7-14(11-24(16)10-13-3-1-4-19-8-13)17(26)21-9-15-12-23-6-2-5-20-18(23)22-15/h1-6,8,12,14H,7,9-11H2,(H,21,26)
InChIKeyUZGSWDDKHOZARV-UHFFFAOYSA-N
XLogP0.79
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72914762
(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 28786699
(3S)-5-oxo-1-(pyridin-3-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 97188890
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72900787
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
(3R)-N-[2-(N-methylanilino)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97279150
N-(2-benzylsulfanylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 74237202
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131891650
N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184031
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72864326
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72886612
(3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280642

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 72903376) is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cn2cccnc2n1)C1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is UZGSWDDKHOZARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-16-7-14(11-24(16)10-13-3-1-4-19-8-13)17(26)21-9-15-12-23-6-2-5-20-18(23)22-15/h1-6,8,12,14H,7,9-11H2,(H,21,26).
What are the key properties of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72903376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).