N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C20H29N7O2 — CID 167885762

IUPACN-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN1CCC(N2CCC(N(CC)C(=O)c3nc4nc(C)cc(C)n4n3)C2)C1=O
InChIInChI=1S/C20H29N7O2/c1-5-24-10-8-16(18(24)28)25-9-7-15(12-25)26(6-2)19(29)17-22-20-21-13(3)11-14(4)27(20)23-17/h11,15-16H,5-10,12H2,1-4H3
InChIKeyAGIMDTJNODUPMQ-UHFFFAOYSA-N
MW399.50 g/mol
LogP0.90
Rot. Bonds5

About N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 167885762) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID167885762
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC NameN-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN1CCC(N2CCC(N(CC)C(=O)c3nc4nc(C)cc(C)n4n3)C2)C1=O
InChIInChI=1S/C20H29N7O2/c1-5-24-10-8-16(18(24)28)25-9-7-15(12-25)26(6-2)19(29)17-22-20-21-13(3)11-14(4)27(20)23-17/h11,15-16H,5-10,12H2,1-4H3
InChIKeyAGIMDTJNODUPMQ-UHFFFAOYSA-N
XLogP0.90
TPSA86.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 167885762) is N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCN1CCC(N2CCC(N(CC)C(=O)c3nc4nc(C)cc(C)n4n3)C2)C1=O.
What is the InChIKey of N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AGIMDTJNODUPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-5-24-10-8-16(18(24)28)25-9-7-15(12-25)26(6-2)19(29)17-22-20-21-13(3)11-14(4)27(20)23-17/h11,15-16H,5-10,12H2,1-4H3.
What are the key properties of N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 167885762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).