N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide

C15H21N3O2 — CID 166182865

IUPACN-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)C2CCCC2)c1
InChIInChI=1S/C15H21N3O2/c1-11-7-8-16-13(9-11)17-14(19)10-18(2)15(20)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17,19)
InChIKeyIUNNKXQJHXZRHB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.98
Rot. Bonds4

About N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide

N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 166182865) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID166182865
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)C2CCCC2)c1
InChIInChI=1S/C15H21N3O2/c1-11-7-8-16-13(9-11)17-14(19)10-18(2)15(20)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17,19)
InChIKeyIUNNKXQJHXZRHB-UHFFFAOYSA-N
XLogP1.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide (CID 166182865) is N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide is Cc1ccnc(NC(=O)CN(C)C(=O)C2CCCC2)c1.
What is the InChIKey of N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is IUNNKXQJHXZRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-7-8-16-13(9-11)17-14(19)10-18(2)15(20)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17,19).
What are the key properties of N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide?
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 166182865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).