N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C21H28N6O — CID 126791611

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCCC3c3ccncc3)CC2)nc(C)n1
InChIInChI=1S/C21H28N6O/c1-15-14-20(24-16(2)23-15)26-12-7-18(8-13-26)25-21(28)27-11-3-4-19(27)17-5-9-22-10-6-17/h5-6,9-10,14,18-19H,3-4,7-8,11-13H2,1-2H3,(H,25,28)
InChIKeyCOYZIJFQVRWCES-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.00
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 126791611) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID126791611
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCCC3c3ccncc3)CC2)nc(C)n1
InChIInChI=1S/C21H28N6O/c1-15-14-20(24-16(2)23-15)26-12-7-18(8-13-26)25-21(28)27-11-3-4-19(27)17-5-9-22-10-6-17/h5-6,9-10,14,18-19H,3-4,7-8,11-13H2,1-2H3,(H,25,28)
InChIKeyCOYZIJFQVRWCES-UHFFFAOYSA-N
XLogP3.00
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 126791611) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is Cc1cc(N2CCC(NC(=O)N3CCCC3c3ccncc3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is COYZIJFQVRWCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15-14-20(24-16(2)23-15)26-12-7-18(8-13-26)25-21(28)27-11-3-4-19(27)17-5-9-22-10-6-17/h5-6,9-10,14,18-19H,3-4,7-8,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 126791611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).