2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide

C14H21N3O — CID 141409752

IUPAC2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(NCc2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c15-14(18)8-11-3-5-13(6-4-11)17-10-12-2-1-7-16-9-12/h1-2,7,9,11,13,17H,3-6,8,10H2,(H2,15,18)
InChIKeyBIUUUVFXMYUUSP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide

2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide (PubChem CID 141409752) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
PubChem CID141409752
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(NCc2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c15-14(18)8-11-3-5-13(6-4-11)17-10-12-2-1-7-16-9-12/h1-2,7,9,11,13,17H,3-6,8,10H2,(H2,15,18)
InChIKeyBIUUUVFXMYUUSP-UHFFFAOYSA-N
XLogP1.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 169215534
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397449
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
tert-butyl 3-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629688
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
N-[4-(2-hydroxyethyl)cyclohexyl]-2-pyridin-3-ylacetamide
CID 116817232
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide?
The IUPAC name of 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide (CID 141409752) is 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide?
The canonical SMILES for 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide is NC(=O)CC1CCC(NCc2cccnc2)CC1.
What is the InChIKey of 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide?
The InChIKey is BIUUUVFXMYUUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(18)8-11-3-5-13(6-4-11)17-10-12-2-1-7-16-9-12/h1-2,7,9,11,13,17H,3-6,8,10H2,(H2,15,18).
What are the key properties of 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide?
2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide is sourced from PubChem (CID 141409752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).