[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone

C12H11N3O — CID 122689009

IUPAC[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
SMILESCNc1ccc(C(=O)c2cccnc2)cn1
InChIInChI=1S/C12H11N3O/c1-13-11-5-4-10(8-15-11)12(16)9-3-2-6-14-7-9/h2-8H,1H3,(H,13,15)
InChIKeyPAUFMURYKLMMOY-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.75
Rot. Bonds3

About [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone

[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone (PubChem CID 122689009) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
PubChem CID122689009
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
SMILESCNc1ccc(C(=O)c2cccnc2)cn1
InChIInChI=1S/C12H11N3O/c1-13-11-5-4-10(8-15-11)12(16)9-3-2-6-14-7-9/h2-8H,1H3,(H,13,15)
InChIKeyPAUFMURYKLMMOY-UHFFFAOYSA-N
XLogP1.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172274
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
N-methylpyridine-3-carboxamide chloride
CID 20976730
2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid
CID 140981095
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
(111C)methyl pyridine-3-carboxylate
CID 11309537
(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
CID 141348770

Frequently Asked Questions

What is the IUPAC name of [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone?
The IUPAC name of [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone (CID 122689009) is [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone?
The canonical SMILES for [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone is CNc1ccc(C(=O)c2cccnc2)cn1.
What is the InChIKey of [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone?
The InChIKey is PAUFMURYKLMMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-13-11-5-4-10(8-15-11)12(16)9-3-2-6-14-7-9/h2-8H,1H3,(H,13,15).
What are the key properties of [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone?
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone has a molecular weight of 213.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 122689009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).