(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone

C10H13N3O — CID 116598621

IUPAC(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone
SMILESNc1ncccc1C(=O)C1(N)CCC1
InChIInChI=1S/C10H13N3O/c11-9-7(3-1-6-13-9)8(14)10(12)4-2-5-10/h1,3,6H,2,4-5,12H2,(H2,11,13)
InChIKeyAHKIVZGWMSENHK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.73
Rot. Bonds2

About (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone

(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone (PubChem CID 116598621) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone
PubChem CID116598621
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone
SMILESNc1ncccc1C(=O)C1(N)CCC1
InChIInChI=1S/C10H13N3O/c11-9-7(3-1-6-13-9)8(14)10(12)4-2-5-10/h1,3,6H,2,4-5,12H2,(H2,11,13)
InChIKeyAHKIVZGWMSENHK-UHFFFAOYSA-N
XLogP0.73
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066637
(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074262
(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone
CID 116748021
(1-aminocyclohexyl)-quinolin-5-ylmethanone
CID 116550567
(1-aminocyclopentyl)-pyridin-2-ylmethanone
CID 82281287
2-aminopyridine-3-carboxylate
CID 4116530
(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749351
[1-(aminomethyl)-4-methylcyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116604231
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
(2-amino-3-pyridinyl)-(cyclopenten-1-yl)methanone
CID 103448139
(1-aminocyclopentyl)-(2-bromophenyl)methanone
CID 82305027
(1-aminocyclopropyl)-(2-hydroxyphenyl)methanone
CID 105436807

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone (CID 116598621) is (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone is Nc1ncccc1C(=O)C1(N)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone?
The InChIKey is AHKIVZGWMSENHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-9-7(3-1-6-13-9)8(14)10(12)4-2-5-10/h1,3,6H,2,4-5,12H2,(H2,11,13).
What are the key properties of (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone?
(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone has a molecular weight of 191.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone is sourced from PubChem (CID 116598621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).