4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide

C17H17N3O — CID 63309459

IUPAC4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccnc1CNC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H17N3O/c1-13-4-3-11-19-16(13)12-20-17(21)15-8-6-14(7-9-15)5-2-10-18/h3-4,6-9,11H,10,12,18H2,1H3,(H,20,21)
InChIKeyTYWJKCYBIXRKKF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.63
Rot. Bonds3

About 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide

4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 63309459) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide
PubChem CID63309459
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccnc1CNC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H17N3O/c1-13-4-3-11-19-16(13)12-20-17(21)15-8-6-14(7-9-15)5-2-10-18/h3-4,6-9,11H,10,12,18H2,1H3,(H,20,21)
InChIKeyTYWJKCYBIXRKKF-UHFFFAOYSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.63
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)phenyl]methyl]-3-methylpyridine-2-carboxamide
CID 62339830
3-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 63800239
4-(3-aminoprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376176
4-hydroxy-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103956033
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376208
N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpyridine-2-carboxamide
CID 62340006
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide
CID 63310048
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-(methylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55204056

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide (CID 63309459) is 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide is Cc1cccnc1CNC(=O)c1ccc(C#CCN)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is TYWJKCYBIXRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-4-3-11-19-16(13)12-20-17(21)15-8-6-14(7-9-15)5-2-10-18/h3-4,6-9,11H,10,12,18H2,1H3,(H,20,21).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 63309459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).