1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide

C11H15N3O — CID 80587391

IUPAC1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccncc2)CCC1
InChIInChI=1S/C11H15N3O/c12-8-11(4-1-5-11)10(15)14-9-2-6-13-7-3-9/h2-3,6-7H,1,4-5,8,12H2,(H,13,14,15)
InChIKeyCNVUJMRWXKLRDR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.15
Rot. Bonds3

About 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide

1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide (PubChem CID 80587391) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
PubChem CID80587391
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccncc2)CCC1
InChIInChI=1S/C11H15N3O/c12-8-11(4-1-5-11)10(15)14-9-2-6-13-7-3-9/h2-3,6-7H,1,4-5,8,12H2,(H,13,14,15)
InChIKeyCNVUJMRWXKLRDR-UHFFFAOYSA-N
XLogP1.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 115183955
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide
CID 107588384
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 81485494
1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 70171543
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 80599055
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide (CID 80587391) is 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide is NCC1(C(=O)Nc2ccncc2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide?
The InChIKey is CNVUJMRWXKLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-8-11(4-1-5-11)10(15)14-9-2-6-13-7-3-9/h2-3,6-7H,1,4-5,8,12H2,(H,13,14,15).
What are the key properties of 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 80587391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).