N-pent-4-ynylpyridine-3-carboxamide

C11H12N2O — CID 103709101

IUPACN-pent-4-ynylpyridine-3-carboxamide
SMILESC#CCCCNC(=O)c1cccnc1
InChIInChI=1S/C11H12N2O/c1-2-3-4-8-13-11(14)10-6-5-7-12-9-10/h1,5-7,9H,3-4,8H2,(H,13,14)
InChIKeyAENQHDJWWBLKQA-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.22
Rot. Bonds4

About N-pent-4-ynylpyridine-3-carboxamide

N-pent-4-ynylpyridine-3-carboxamide (PubChem CID 103709101) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-pent-4-ynylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-pent-4-ynylpyridine-3-carboxamide
PubChem CID103709101
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-pent-4-ynylpyridine-3-carboxamide
SMILESC#CCCCNC(=O)c1cccnc1
InChIInChI=1S/C11H12N2O/c1-2-3-4-8-13-11(14)10-6-5-7-12-9-10/h1,5-7,9H,3-4,8H2,(H,13,14)
InChIKeyAENQHDJWWBLKQA-UHFFFAOYSA-N
XLogP1.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.22
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

N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-octadecylpyridine-3-carboxamide
CID 3547337
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate
CID 25072807
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynylpyridine-3-carboxamide?
The IUPAC name of N-pent-4-ynylpyridine-3-carboxamide (CID 103709101) is N-pent-4-ynylpyridine-3-carboxamide.
What is the SMILES notation for N-pent-4-ynylpyridine-3-carboxamide?
The canonical SMILES for N-pent-4-ynylpyridine-3-carboxamide is C#CCCCNC(=O)c1cccnc1.
What is the InChIKey of N-pent-4-ynylpyridine-3-carboxamide?
The InChIKey is AENQHDJWWBLKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-3-4-8-13-11(14)10-6-5-7-12-9-10/h1,5-7,9H,3-4,8H2,(H,13,14).
What are the key properties of N-pent-4-ynylpyridine-3-carboxamide?
N-pent-4-ynylpyridine-3-carboxamide has a molecular weight of 188.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynylpyridine-3-carboxamide is sourced from PubChem (CID 103709101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).