(3-amino-4-pyridinyl)-pyridin-3-ylmethanone

C11H9N3O — CID 53414422

IUPAC(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
SMILESNc1cnccc1C(=O)c1cccnc1
InChIInChI=1S/C11H9N3O/c12-10-7-14-5-3-9(10)11(15)8-2-1-4-13-6-8/h1-7H,12H2
InChIKeyKPWKUQUAHCQIMV-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.29
Rot. Bonds2

About (3-amino-4-pyridinyl)-pyridin-3-ylmethanone

(3-amino-4-pyridinyl)-pyridin-3-ylmethanone (PubChem CID 53414422) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
PubChem CID53414422
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
SMILESNc1cnccc1C(=O)c1cccnc1
InChIInChI=1S/C11H9N3O/c12-10-7-14-5-3-9(10)11(15)8-2-1-4-13-6-8/h1-7H,12H2
InChIKeyKPWKUQUAHCQIMV-UHFFFAOYSA-N
XLogP1.29
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-pyridinyl)-(3-chlorophenyl)methanone
CID 53414372
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621330
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
[2-amino-5-(2-aminopyrimidin-4-yl)phenyl]-pyridin-3-ylmethanone
CID 163703633
4-chloro-2-(pyridine-3-carbonyl)benzamide
CID 68547822
(2,5-dibromophenyl)-pyridin-3-ylmethanone
CID 112694374
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-pyridin-3-ylmethanone?
The IUPAC name of (3-amino-4-pyridinyl)-pyridin-3-ylmethanone (CID 53414422) is (3-amino-4-pyridinyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-amino-4-pyridinyl)-pyridin-3-ylmethanone is Nc1cnccc1C(=O)c1cccnc1.
What is the InChIKey of (3-amino-4-pyridinyl)-pyridin-3-ylmethanone?
The InChIKey is KPWKUQUAHCQIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-10-7-14-5-3-9(10)11(15)8-2-1-4-13-6-8/h1-7H,12H2.
What are the key properties of (3-amino-4-pyridinyl)-pyridin-3-ylmethanone?
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone has a molecular weight of 199.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 53414422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).