N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

C16H15N3O2 — CID 114932889

IUPACN-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccncc2C#CCO)c1
InChIInChI=1S/C16H15N3O2/c1-11-8-12(2)18-15(9-11)19-16(21)14-5-6-17-10-13(14)4-3-7-20/h5-6,8-10,20H,7H2,1-2H3,(H,18,19,21)
InChIKeyOJGCQHYIHQFGMN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.69
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (PubChem CID 114932889) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
PubChem CID114932889
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccncc2C#CCO)c1
InChIInChI=1S/C16H15N3O2/c1-11-8-12(2)18-15(9-11)19-16(21)14-5-6-17-10-13(14)4-3-7-20/h5-6,8-10,20H,7H2,1-2H3,(H,18,19,21)
InChIKeyOJGCQHYIHQFGMN-UHFFFAOYSA-N
XLogP1.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 66484003
3-(4-hydroxybut-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 66484785
3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66482472
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484383
N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484973
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484230
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 83112396
3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 66483450
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (CID 114932889) is N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is Cc1cc(C)nc(NC(=O)c2ccncc2C#CCO)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The InChIKey is OJGCQHYIHQFGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-8-12(2)18-15(9-11)19-16(21)14-5-6-17-10-13(14)4-3-7-20/h5-6,8-10,20H,7H2,1-2H3,(H,18,19,21).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 114932889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).