N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide

C18H26N4O2 — CID 119855182

IUPACN-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)CC3CCCN3)CC2)nc1
InChIInChI=1S/C18H26N4O2/c1-13-4-5-16(20-12-13)21-18(24)14-6-9-22(10-7-14)17(23)11-15-3-2-8-19-15/h4-5,12,14-15,19H,2-3,6-11H2,1H3,(H,20,21,24)
InChIKeyOCKRXUNBHIUMGP-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.71
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 119855182) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
PubChem CID119855182
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)CC3CCCN3)CC2)nc1
InChIInChI=1S/C18H26N4O2/c1-13-4-5-16(20-12-13)21-18(24)14-6-9-22(10-7-14)17(23)11-15-3-2-8-19-15/h4-5,12,14-15,19H,2-3,6-11H2,1H3,(H,20,21,24)
InChIKeyOCKRXUNBHIUMGP-UHFFFAOYSA-N
XLogP1.71
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide (CID 119855182) is N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)CC3CCCN3)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is OCKRXUNBHIUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-4-5-16(20-12-13)21-18(24)14-6-9-22(10-7-14)17(23)11-15-3-2-8-19-15/h4-5,12,14-15,19H,2-3,6-11H2,1H3,(H,20,21,24).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 119855182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).