N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide

C12H17N3O — CID 75523331

IUPACN-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H17N3O/c1-9-7-10(2)13-11(8-9)14-12(16)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyBNZBJQGKCFADRH-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.33
Rot. Bonds1

About N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide

N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 75523331) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID75523331
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H17N3O/c1-9-7-10(2)13-11(8-9)14-12(16)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyBNZBJQGKCFADRH-UHFFFAOYSA-N
XLogP2.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide (CID 75523331) is N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide is Cc1cc(C)nc(NC(=O)N2CCCC2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is BNZBJQGKCFADRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-7-10(2)13-11(8-9)14-12(16)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75523331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).