3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide

C14H15N5O — CID 107524500

IUPAC3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ncccc1C#CCN
InChIInChI=1S/C14H15N5O/c1-19(10-12-16-8-9-17-12)14(20)13-11(4-2-6-15)5-3-7-18-13/h3,5,7-9H,6,10,15H2,1H3,(H,16,17)
InChIKeyTUZTXDKTSJGQRT-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.39
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 107524500) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID107524500
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ncccc1C#CCN
InChIInChI=1S/C14H15N5O/c1-19(10-12-16-8-9-17-12)14(20)13-11(4-2-6-15)5-3-7-18-13/h3,5,7-9H,6,10,15H2,1H3,(H,16,17)
InChIKeyTUZTXDKTSJGQRT-UHFFFAOYSA-N
XLogP0.39
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.39
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-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 107524633
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 107524822
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107524444
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64516996
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221
3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
CID 107524467
3-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106049558
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 107524117
3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 107524045
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107522845
4-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64517941
ethyl 2-[[3-(4-hydroxybut-1-ynyl)pyridine-2-carbonyl]-methylamino]acetate
CID 107521797

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide (CID 107524500) is 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1ncccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is TUZTXDKTSJGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19(10-12-16-8-9-17-12)14(20)13-11(4-2-6-15)5-3-7-18-13/h3,5,7-9H,6,10,15H2,1H3,(H,16,17).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107524500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).