N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide

C16H23N3O — CID 113031088

IUPACN-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCCCCC2)cn1)C1CCC1
InChIInChI=1S/C16H23N3O/c20-16(13-6-5-7-13)18-15-9-8-14(12-17-15)19-10-3-1-2-4-11-19/h8-9,12-13H,1-7,10-11H2,(H,17,18,20)
InChIKeyBUGWBIKUYYXZIZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.20
Rot. Bonds3

About N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide

N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113031088) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113031088
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCCCCC2)cn1)C1CCC1
InChIInChI=1S/C16H23N3O/c20-16(13-6-5-7-13)18-15-9-8-14(12-17-15)19-10-3-1-2-4-11-19/h8-9,12-13H,1-7,10-11H2,(H,17,18,20)
InChIKeyBUGWBIKUYYXZIZ-UHFFFAOYSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60516432
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 113029109
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443
1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide
CID 60571418
cis-(1R,3S)-2,2-dimethyl-3-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065870
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
1-(naphthalene-1-carbonyl)-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 71895394
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113030831
N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 113029514

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide (CID 113031088) is N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide is O=C(Nc1ccc(N2CCCCCC2)cn1)C1CCC1.
What is the InChIKey of N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is BUGWBIKUYYXZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(13-6-5-7-13)18-15-9-8-14(12-17-15)19-10-3-1-2-4-11-19/h8-9,12-13H,1-7,10-11H2,(H,17,18,20).
What are the key properties of N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide?
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113031088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).