5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide

C14H19N3O2 — CID 104764922

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
SMILESCC(C)OCCNC(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C14H19N3O2/c1-11(2)19-7-6-17-14(18)13-8-12(4-3-5-15)9-16-10-13/h8-11H,5-7,15H2,1-2H3,(H,17,18)
InChIKeyJYKJMLBWUJCGRP-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.55
Rot. Bonds5

About 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide (PubChem CID 104764922) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
PubChem CID104764922
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
SMILESCC(C)OCCNC(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C14H19N3O2/c1-11(2)19-7-6-17-14(18)13-8-12(4-3-5-15)9-16-10-13/h8-11H,5-7,15H2,1-2H3,(H,17,18)
InChIKeyJYKJMLBWUJCGRP-UHFFFAOYSA-N
XLogP0.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]amino]acetate
CID 54974362
5-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)pyridine-3-carboxamide
CID 113485891
5-(3-aminoprop-1-ynyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54974505
5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023049
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765008
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
N-(3-amino-3-oxopropyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54974696
5-(4-hydroxybut-1-ynyl)-N-propylpyridine-3-carboxamide
CID 54974842
(E)-3-[5-(2-propan-2-yloxyethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 104765260
5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 106422423
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81062814

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide (CID 104764922) is 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide is CC(C)OCCNC(=O)c1cncc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
The InChIKey is JYKJMLBWUJCGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(2)19-7-6-17-14(18)13-8-12(4-3-5-15)9-16-10-13/h8-11H,5-7,15H2,1-2H3,(H,17,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 104764922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).