N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide

C16H25N3O — CID 114290016

IUPACN-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide
SMILESCCN(C(=O)CCc1ccccn1)C1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-2-19(15-9-6-13(17)7-10-15)16(20)11-8-14-5-3-4-12-18-14/h3-5,12-13,15H,2,6-11,17H2,1H3
InChIKeyABLWSQACFBEQDO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.13
Rot. Bonds5

About N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide

N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide (PubChem CID 114290016) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide
PubChem CID114290016
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide
SMILESCCN(C(=O)CCc1ccccn1)C1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-2-19(15-9-6-13(17)7-10-15)16(20)11-8-14-5-3-4-12-18-14/h3-5,12-13,15H,2,6-11,17H2,1H3
InChIKeyABLWSQACFBEQDO-UHFFFAOYSA-N
XLogP2.13
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 110389197
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
N-(4-aminocyclohexyl)-N-ethyl-3-hydroxypyridine-2-carboxamide
CID 79115604
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate
CID 126827437
N-ethyl-3-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608852
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
N-ethyl-N-piperidin-3-yl-2-pyridin-2-ylacetamide
CID 55247016

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide (CID 114290016) is N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide is CCN(C(=O)CCc1ccccn1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide?
The InChIKey is ABLWSQACFBEQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19(15-9-6-13(17)7-10-15)16(20)11-8-14-5-3-4-12-18-14/h3-5,12-13,15H,2,6-11,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide?
N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 114290016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).