N-(2-methyl-4-pyridinyl)hept-6-ynamide

C13H16N2O — CID 123868405

IUPACN-(2-methyl-4-pyridinyl)hept-6-ynamide
SMILESC#CCCCCC(=O)Nc1ccnc(C)c1
InChIInChI=1S/C13H16N2O/c1-3-4-5-6-7-13(16)15-12-8-9-14-11(2)10-12/h1,8-10H,4-7H2,2H3,(H,14,15,16)
InChIKeyNTRQBSHBTVFLSV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.52
Rot. Bonds5

About N-(2-methyl-4-pyridinyl)hept-6-ynamide

N-(2-methyl-4-pyridinyl)hept-6-ynamide (PubChem CID 123868405) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)hept-6-ynamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)hept-6-ynamide
PubChem CID123868405
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2-methyl-4-pyridinyl)hept-6-ynamide
SMILESC#CCCCCC(=O)Nc1ccnc(C)c1
InChIInChI=1S/C13H16N2O/c1-3-4-5-6-7-13(16)15-12-8-9-14-11(2)10-12/h1,8-10H,4-7H2,2H3,(H,14,15,16)
InChIKeyNTRQBSHBTVFLSV-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide
CID 103908930
4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 120564262
N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090
2-(4-methylphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756851
N-(2-hydroxy-4-methylphenyl)hept-6-ynamide
CID 103907404
4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide
CID 110676277
N-(3-hydroxyphenyl)hex-5-ynamide
CID 146294114

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)hept-6-ynamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)hept-6-ynamide (CID 123868405) is N-(2-methyl-4-pyridinyl)hept-6-ynamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)hept-6-ynamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)hept-6-ynamide is C#CCCCCC(=O)Nc1ccnc(C)c1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)hept-6-ynamide?
The InChIKey is NTRQBSHBTVFLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-4-5-6-7-13(16)15-12-8-9-14-11(2)10-12/h1,8-10H,4-7H2,2H3,(H,14,15,16).
What are the key properties of N-(2-methyl-4-pyridinyl)hept-6-ynamide?
N-(2-methyl-4-pyridinyl)hept-6-ynamide has a molecular weight of 216.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)hept-6-ynamide is sourced from PubChem (CID 123868405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).