N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane

C15H26N2O — CID 143542162

IUPACN-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane
SMILESCC.CC#CCNC(=O)c1ccncc1.CCC.[H][H]
InChIInChI=1S/C10H10N2O.C3H8.C2H6.H2/c1-2-3-6-12-10(13)9-4-7-11-8-5-9;1-3-2;1-2;/h4-5,7-8H,6H2,1H3,(H,12,13);3H2,1-2H3;1-2H3;1H
InChIKeyRTKAKFANJGOPNH-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.52
Rot. Bonds2

About N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane

N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane (PubChem CID 143542162) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane.

Molecular Properties

Compound NameN-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane
PubChem CID143542162
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane
SMILESCC.CC#CCNC(=O)c1ccncc1.CCC.[H][H]
InChIInChI=1S/C10H10N2O.C3H8.C2H6.H2/c1-2-3-6-12-10(13)9-4-7-11-8-5-9;1-3-2;1-2;/h4-5,7-8H,6H2,1H3,(H,12,13);3H2,1-2H3;1-2H3;1H
InChIKeyRTKAKFANJGOPNH-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-4-fluorobenzamide
CID 115866848
N-butylpyridine-4-carboxamide
CID 5030535
N-pentylpyridine-4-carboxamide
CID 2307296
N-but-2-ynyl-3,4-dihydroxybenzamide
CID 103957730
N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
CID 115866916
N-hexylpyridine-4-carboxamide
CID 3423732
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 58188881
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide
CID 856904
N-[(3,5,6-trimethylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 25216490

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane?
The IUPAC name of N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane (CID 143542162) is N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane.
What is the SMILES notation for N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane?
The canonical SMILES for N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane is CC.CC#CCNC(=O)c1ccncc1.CCC.[H][H].
What is the InChIKey of N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane?
The InChIKey is RTKAKFANJGOPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C3H8.C2H6.H2/c1-2-3-6-12-10(13)9-4-7-11-8-5-9;1-3-2;1-2;/h4-5,7-8H,6H2,1H3,(H,12,13);3H2,1-2H3;1-2H3;1H.
What are the key properties of N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane?
N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane has a molecular weight of 250.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane is sourced from PubChem (CID 143542162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).