N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide

C17H24N4O2 — CID 110246678

IUPACN-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1ncc(C(=O)N2CCC(C(=O)NC3CCCC3)C2)c(C)n1
InChIInChI=1S/C17H24N4O2/c1-11-15(9-18-12(2)19-11)17(23)21-8-7-13(10-21)16(22)20-14-5-3-4-6-14/h9,13-14H,3-8,10H2,1-2H3,(H,20,22)
InChIKeySSCVLGBDHKSYLZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.61
Rot. Bonds3

About N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide

N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110246678) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110246678
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1ncc(C(=O)N2CCC(C(=O)NC3CCCC3)C2)c(C)n1
InChIInChI=1S/C17H24N4O2/c1-11-15(9-18-12(2)19-11)17(23)21-8-7-13(10-21)16(22)20-14-5-3-4-6-14/h9,13-14H,3-8,10H2,1-2H3,(H,20,22)
InChIKeySSCVLGBDHKSYLZ-UHFFFAOYSA-N
XLogP1.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide (CID 110246678) is N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide is Cc1ncc(C(=O)N2CCC(C(=O)NC3CCCC3)C2)c(C)n1.
What is the InChIKey of N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is SSCVLGBDHKSYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-15(9-18-12(2)19-11)17(23)21-8-7-13(10-21)16(22)20-14-5-3-4-6-14/h9,13-14H,3-8,10H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide?
N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).