N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide

C18H21N3O — CID 123855665

IUPACN-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
SMILESCNc1cc(-c2cccc(C(=O)NC3CCCC3)c2)ccn1
InChIInChI=1S/C18H21N3O/c1-19-17-12-14(9-10-20-17)13-5-4-6-15(11-13)18(22)21-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8H2,1H3,(H,19,20)(H,21,22)
InChIKeyFHGZIZJFRUJTCU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.46
Rot. Bonds4

About N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide

N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide (PubChem CID 123855665) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
PubChem CID123855665
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
SMILESCNc1cc(-c2cccc(C(=O)NC3CCCC3)c2)ccn1
InChIInChI=1S/C18H21N3O/c1-19-17-12-14(9-10-20-17)13-5-4-6-15(11-13)18(22)21-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8H2,1H3,(H,19,20)(H,21,22)
InChIKeyFHGZIZJFRUJTCU-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide (CID 123855665) is N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide is CNc1cc(-c2cccc(C(=O)NC3CCCC3)c2)ccn1.
What is the InChIKey of N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide?
The InChIKey is FHGZIZJFRUJTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-19-17-12-14(9-10-20-17)13-5-4-6-15(11-13)18(22)21-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide?
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide has a molecular weight of 295.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide is sourced from PubChem (CID 123855665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).