N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

C16H25N3O — CID 109013454

IUPACN-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCN(CCC(=O)NC1CCCC1)CCc1ccncc1
InChIInChI=1S/C16H25N3O/c1-19(12-8-14-6-10-17-11-7-14)13-9-16(20)18-15-4-2-3-5-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,18,20)
InChIKeyPBTIVMBFSCEYIS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.00
Rot. Bonds7

About N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (PubChem CID 109013454) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
PubChem CID109013454
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCN(CCC(=O)NC1CCCC1)CCc1ccncc1
InChIInChI=1S/C16H25N3O/c1-19(12-8-14-6-10-17-11-7-14)13-9-16(20)18-15-4-2-3-5-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,18,20)
InChIKeyPBTIVMBFSCEYIS-UHFFFAOYSA-N
XLogP2.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Milrinone
CID 4197
Amrinone
CID 3698
Norcotinine
CID 413
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
Methyl[1-(pyridin-4-yl)ethyl]amine
CID 16776491
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
N-(tert-butyl)-N'-(3-pyridylmethyl)urea
CID 290474
3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 871256
1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 1247370
N-Acetylnornicotine
CID 165384
10-Undecenamide, N-(4-pyridylmethyl)-
CID 294304

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (CID 109013454) is N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is CN(CCC(=O)NC1CCCC1)CCc1ccncc1.
What is the InChIKey of N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The InChIKey is PBTIVMBFSCEYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(12-8-14-6-10-17-11-7-14)13-9-16(20)18-15-4-2-3-5-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 109013454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).