(5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone

C14H13N3O — CID 170314471

IUPAC(5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone
SMILESNc1ccc(C(=O)C2(c3ccccn3)CC2)nc1
InChIInChI=1S/C14H13N3O/c15-10-4-5-11(17-9-10)13(18)14(6-7-14)12-3-1-2-8-16-12/h1-5,8-9H,6-7,15H2
InChIKeyWNVMTEMTHSCAFS-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.97
Rot. Bonds3

About (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone

(5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone (PubChem CID 170314471) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone
PubChem CID170314471
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name(5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone
SMILESNc1ccc(C(=O)C2(c3ccccn3)CC2)nc1
InChIInChI=1S/C14H13N3O/c15-10-4-5-11(17-9-10)13(18)14(6-7-14)12-3-1-2-8-16-12/h1-5,8-9H,6-7,15H2
InChIKeyWNVMTEMTHSCAFS-UHFFFAOYSA-N
XLogP1.97
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
(1-aminocyclopentyl)-pyridin-2-ylmethanone
CID 82281287
1-pyridin-2-ylcyclohexane-1-carbohydrazide
CID 116844535
4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
CID 144998145
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81317198
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
(5-amino-2-pyridinyl)-(2-methylphenyl)methanone
CID 116605299
[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone
CID 116921184
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone (CID 170314471) is (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone is Nc1ccc(C(=O)C2(c3ccccn3)CC2)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone?
The InChIKey is WNVMTEMTHSCAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-10-4-5-11(17-9-10)13(18)14(6-7-14)12-3-1-2-8-16-12/h1-5,8-9H,6-7,15H2.
What are the key properties of (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone?
(5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone has a molecular weight of 239.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone is sourced from PubChem (CID 170314471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).