1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide

C15H20ClN5O2 — CID 56797170

IUPAC1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1
InChIInChI=1S/C15H20ClN5O2/c16-11-8-18-15(20-5-2-1-3-6-20)19-12(11)14(23)21-7-4-10(9-21)13(17)22/h8,10H,1-7,9H2,(H2,17,22)
InChIKeyLNVHHJOAYRRVJG-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.07
Rot. Bonds3

About 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide

1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 56797170) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID56797170
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1
InChIInChI=1S/C15H20ClN5O2/c16-11-8-18-15(20-5-2-1-3-6-20)19-12(11)14(23)21-7-4-10(9-21)13(17)22/h8,10H,1-7,9H2,(H2,17,22)
InChIKeyLNVHHJOAYRRVJG-UHFFFAOYSA-N
XLogP1.07
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide (CID 56797170) is 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1.
What is the InChIKey of 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is LNVHHJOAYRRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c16-11-8-18-15(20-5-2-1-3-6-20)19-12(11)14(23)21-7-4-10(9-21)13(17)22/h8,10H,1-7,9H2,(H2,17,22).
What are the key properties of 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide?
1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56797170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).