methanol;N-pyridin-4-ylpyridine-4-carboxamide

C12H13N3O2 — CID 158472241

IUPACmethanol;N-pyridin-4-ylpyridine-4-carboxamide
SMILESCO.O=C(Nc1ccncc1)c1ccncc1
InChIInChI=1S/C11H9N3O.CH4O/c15-11(9-1-5-12-6-2-9)14-10-3-7-13-8-4-10;1-2/h1-8H,(H,13,14,15);2H,1H3
InChIKeyHGMKYKMQPBBWJM-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.34
Rot. Bonds2

About methanol;N-pyridin-4-ylpyridine-4-carboxamide

methanol;N-pyridin-4-ylpyridine-4-carboxamide (PubChem CID 158472241) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is methanol;N-pyridin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Namemethanol;N-pyridin-4-ylpyridine-4-carboxamide
PubChem CID158472241
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Namemethanol;N-pyridin-4-ylpyridine-4-carboxamide
SMILESCO.O=C(Nc1ccncc1)c1ccncc1
InChIInChI=1S/C11H9N3O.CH4O/c15-11(9-1-5-12-6-2-9)14-10-3-7-13-8-4-10;1-2/h1-8H,(H,13,14,15);2H,1H3
InChIKeyHGMKYKMQPBBWJM-UHFFFAOYSA-N
XLogP1.34
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
4-(pyridine-4-carbonylamino)benzenesulfonic acid
CID 25248911
N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
CID 110444823
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948

Frequently Asked Questions

What is the IUPAC name of methanol;N-pyridin-4-ylpyridine-4-carboxamide?
The IUPAC name of methanol;N-pyridin-4-ylpyridine-4-carboxamide (CID 158472241) is methanol;N-pyridin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for methanol;N-pyridin-4-ylpyridine-4-carboxamide?
The canonical SMILES for methanol;N-pyridin-4-ylpyridine-4-carboxamide is CO.O=C(Nc1ccncc1)c1ccncc1.
What is the InChIKey of methanol;N-pyridin-4-ylpyridine-4-carboxamide?
The InChIKey is HGMKYKMQPBBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O.CH4O/c15-11(9-1-5-12-6-2-9)14-10-3-7-13-8-4-10;1-2/h1-8H,(H,13,14,15);2H,1H3.
What are the key properties of methanol;N-pyridin-4-ylpyridine-4-carboxamide?
methanol;N-pyridin-4-ylpyridine-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-pyridin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 158472241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).