N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide

C20H32N4O — CID 155391842

IUPACN-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
SMILESO=C(CNC1CCCCCC1)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C20H32N4O/c25-20(16-21-17-9-5-1-2-6-10-17)23-18-11-12-19(22-15-18)24-13-7-3-4-8-14-24/h11-12,15,17,21H,1-10,13-14,16H2,(H,23,25)
InChIKeyUJPAKSNSFWGVNS-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.71
Rot. Bonds5

About N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide

N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide (PubChem CID 155391842) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
PubChem CID155391842
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
SMILESO=C(CNC1CCCCCC1)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C20H32N4O/c25-20(16-21-17-9-5-1-2-6-10-17)23-18-11-12-19(22-15-18)24-13-7-3-4-8-14-24/h11-12,15,17,21H,1-10,13-14,16H2,(H,23,25)
InChIKeyUJPAKSNSFWGVNS-UHFFFAOYSA-N
XLogP3.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-cyclopent-2-en-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 43041645
2-(cyclopropylamino)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60842509
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]adamantane-1-carboxamide
CID 46519976
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
2-(cyclopropylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60841807
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
CID 155402749
N-cyclohexyl-6-piperidin-1-ylpyridin-3-amine
CID 43690330

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide?
The IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide (CID 155391842) is N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide.
What is the SMILES notation for N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide?
The canonical SMILES for N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide is O=C(CNC1CCCCCC1)Nc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide?
The InChIKey is UJPAKSNSFWGVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c25-20(16-21-17-9-5-1-2-6-10-17)23-18-11-12-19(22-15-18)24-13-7-3-4-8-14-24/h11-12,15,17,21H,1-10,13-14,16H2,(H,23,25).
What are the key properties of N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide?
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide is sourced from PubChem (CID 155391842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).