4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide

C21H30N4O2 — CID 110085100

IUPAC4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC2)c(C2CCCN2C(=O)CCC2CCCC2)n1
InChIInChI=1S/C21H30N4O2/c1-14-22-13-17(21(27)24-16-9-10-16)20(23-14)18-7-4-12-25(18)19(26)11-8-15-5-2-3-6-15/h13,15-16,18H,2-12H2,1H3,(H,24,27)
InChIKeySJNCOWQYCBLCLF-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.31
Rot. Bonds6

About 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide

4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide (PubChem CID 110085100) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide
PubChem CID110085100
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC2)c(C2CCCN2C(=O)CCC2CCCC2)n1
InChIInChI=1S/C21H30N4O2/c1-14-22-13-17(21(27)24-16-9-10-16)20(23-14)18-7-4-12-25(18)19(26)11-8-15-5-2-3-6-15/h13,15-16,18H,2-12H2,1H3,(H,24,27)
InChIKeySJNCOWQYCBLCLF-UHFFFAOYSA-N
XLogP3.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide (CID 110085100) is 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CC2)c(C2CCCN2C(=O)CCC2CCCC2)n1.
What is the InChIKey of 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide?
The InChIKey is SJNCOWQYCBLCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14-22-13-17(21(27)24-16-9-10-16)20(23-14)18-7-4-12-25(18)19(26)11-8-15-5-2-3-6-15/h13,15-16,18H,2-12H2,1H3,(H,24,27).
What are the key properties of 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide?
4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110085100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).