N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide

C16H15N3O — CID 60813372

IUPACN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1cc(C#CCN)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C16H15N3O/c1-12-11-13(5-4-9-17)7-8-14(12)19-16(20)15-6-2-3-10-18-15/h2-3,6-8,10-11H,9,17H2,1H3,(H,19,20)
InChIKeyWPBVZDBLEDXTFJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.95
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 60813372) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
PubChem CID60813372
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1cc(C#CCN)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C16H15N3O/c1-12-11-13(5-4-9-17)7-8-14(12)19-16(20)15-6-2-3-10-18-15/h2-3,6-8,10-11H,9,17H2,1H3,(H,19,20)
InChIKeyWPBVZDBLEDXTFJ-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-chlorobenzamide
CID 60813543
methyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813432
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
CID 63334015
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60814218
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxypropanamide
CID 62589692
3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 107523760
4-(3-aminoprop-1-ynyl)-N-(2,4-dimethylphenyl)benzamide
CID 60821609
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]thiadiazole-4-carboxamide
CID 65216068
2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813431
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62959215

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide (CID 60813372) is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide is Cc1cc(C#CCN)ccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is WPBVZDBLEDXTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-11-13(5-4-9-17)7-8-14(12)19-16(20)15-6-2-3-10-18-15/h2-3,6-8,10-11H,9,17H2,1H3,(H,19,20).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 60813372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).