(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone

C14H14N2O3 — CID 116605219

IUPAC(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C14H14N2O3/c1-18-11-5-9(6-12(7-11)19-2)14(17)13-4-3-10(15)8-16-13/h3-8H,15H2,1-2H3
InChIKeyWWOUGTXKEZHSGX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.91
Rot. Bonds4

About (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone

(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone (PubChem CID 116605219) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
PubChem CID116605219
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C14H14N2O3/c1-18-11-5-9(6-12(7-11)19-2)14(17)13-4-3-10(15)8-16-13/h3-8H,15H2,1-2H3
InChIKeyWWOUGTXKEZHSGX-UHFFFAOYSA-N
XLogP1.91
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 118819424
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone
CID 116605339
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
CID 116605281
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
(5-amino-2-pyridinyl)-(2-methylphenyl)methanone
CID 116605299
5-(3-carbamoyl-5-methoxyphenoxy)pyridine-2-carboxylic acid
CID 103566619
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
(5-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 79723230
(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
CID 170712986
2-(5-amino-2-pyridinyl)-N-(3,5-dimethoxyphenyl)acetamide
CID 107337401

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone (CID 116605219) is (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)c2ccc(N)cn2)c1.
What is the InChIKey of (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone?
The InChIKey is WWOUGTXKEZHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-11-5-9(6-12(7-11)19-2)14(17)13-4-3-10(15)8-16-13/h3-8H,15H2,1-2H3.
What are the key properties of (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone?
(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone has a molecular weight of 258.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 116605219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).