N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide

C17H26FN3O — CID 91647090

IUPACN-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide
SMILESCC(NC(C)(C)C(=O)NCC1CCCC1)c1ccc(F)cn1
InChIInChI=1S/C17H26FN3O/c1-12(15-9-8-14(18)11-19-15)21-17(2,3)16(22)20-10-13-6-4-5-7-13/h8-9,11-13,21H,4-7,10H2,1-3H3,(H,20,22)
InChIKeyRWYGKQRNCNQBQU-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.96
Rot. Bonds6

About N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide

N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide (PubChem CID 91647090) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide
PubChem CID91647090
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC NameN-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide
SMILESCC(NC(C)(C)C(=O)NCC1CCCC1)c1ccc(F)cn1
InChIInChI=1S/C17H26FN3O/c1-12(15-9-8-14(18)11-19-15)21-17(2,3)16(22)20-10-13-6-4-5-7-13/h8-9,11-13,21H,4-7,10H2,1-3H3,(H,20,22)
InChIKeyRWYGKQRNCNQBQU-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide?
The IUPAC name of N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide (CID 91647090) is N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide is CC(NC(C)(C)C(=O)NCC1CCCC1)c1ccc(F)cn1.
What is the InChIKey of N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide?
The InChIKey is RWYGKQRNCNQBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-12(15-9-8-14(18)11-19-15)21-17(2,3)16(22)20-10-13-6-4-5-7-13/h8-9,11-13,21H,4-7,10H2,1-3H3,(H,20,22).
What are the key properties of N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide?
N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide has a molecular weight of 307.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylpropanamide is sourced from PubChem (CID 91647090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).