N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide

C15H21N3O2 — CID 112530487

IUPACN-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C15H21N3O2/c1-12(19)17-11-14-10-13(6-7-16-14)15(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyHJGPZNUJXAXPHO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.73
Rot. Bonds3

About N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide

N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide (PubChem CID 112530487) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
PubChem CID112530487
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C15H21N3O2/c1-12(19)17-11-14-10-13(6-7-16-14)15(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyHJGPZNUJXAXPHO-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
CID 112531754
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
methyl 1-[2-[(dimethylcarbamoylamino)methyl]pyridine-4-carbonyl]piperidine-3-carboxylate
CID 112531632
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112532256
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide (CID 112530487) is N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(C(=O)N2CCCCCC2)ccn1.
What is the InChIKey of N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide?
The InChIKey is HJGPZNUJXAXPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(19)17-11-14-10-13(6-7-16-14)15(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19).
What are the key properties of N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide?
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 112530487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).