N-but-2-ynyl-3-chloropyridine-4-carboxamide

C10H9ClN2O — CID 115866885

IUPACN-but-2-ynyl-3-chloropyridine-4-carboxamide
SMILESCC#CCNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H9ClN2O/c1-2-3-5-13-10(14)8-4-6-12-7-9(8)11/h4,6-7H,5H2,1H3,(H,13,14)
InChIKeyOJNJCSOERAARFW-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.49
Rot. Bonds2

About N-but-2-ynyl-3-chloropyridine-4-carboxamide

N-but-2-ynyl-3-chloropyridine-4-carboxamide (PubChem CID 115866885) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is N-but-2-ynyl-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-3-chloropyridine-4-carboxamide
PubChem CID115866885
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC NameN-but-2-ynyl-3-chloropyridine-4-carboxamide
SMILESCC#CCNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H9ClN2O/c1-2-3-5-13-10(14)8-4-6-12-7-9(8)11/h4,6-7H,5H2,1H3,(H,13,14)
InChIKeyOJNJCSOERAARFW-UHFFFAOYSA-N
XLogP1.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.49
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

4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115667227
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-3-chloropyridine-4-carboxamide?
The IUPAC name of N-but-2-ynyl-3-chloropyridine-4-carboxamide (CID 115866885) is N-but-2-ynyl-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-but-2-ynyl-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-but-2-ynyl-3-chloropyridine-4-carboxamide is CC#CCNC(=O)c1ccncc1Cl.
What is the InChIKey of N-but-2-ynyl-3-chloropyridine-4-carboxamide?
The InChIKey is OJNJCSOERAARFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-3-5-13-10(14)8-4-6-12-7-9(8)11/h4,6-7H,5H2,1H3,(H,13,14).
What are the key properties of N-but-2-ynyl-3-chloropyridine-4-carboxamide?
N-but-2-ynyl-3-chloropyridine-4-carboxamide has a molecular weight of 208.65 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 115866885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).