6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide

C9H8ClN3O — CID 106551756

IUPAC6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide
SMILESC#CCN(C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C9H8ClN3O/c1-3-4-13(2)9(14)7-5-11-6-8(10)12-7/h1,5-6H,4H2,2H3
InChIKeyCCPNROGXUMPXQV-UHFFFAOYSA-N
MW209.64 g/mol
LogP0.84
Rot. Bonds2

About 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide

6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide (PubChem CID 106551756) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide
PubChem CID106551756
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide
SMILESC#CCN(C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C9H8ClN3O/c1-3-4-13(2)9(14)7-5-11-6-8(10)12-7/h1,5-6H,4H2,2H3
InChIKeyCCPNROGXUMPXQV-UHFFFAOYSA-N
XLogP0.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 106551043
6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide
CID 106551582
6-chloro-N,N-dipropylpyrazine-2-carboxamide
CID 103186958
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 106551027
6-chloro-N-cyclopropyl-N-methylpyrazine-2-carboxamide
CID 103187185
6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide
CID 106551556
6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 114035324
bis(6-chloropyrazin-2-yl)methanone
CID 152688598
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
CID 103337318
6-chloro-N-(2-hydroxyethyl)-N-propylpyrazine-2-carboxamide
CID 106551044
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide
CID 99832245

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide (CID 106551756) is 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide is C#CCN(C)C(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide?
The InChIKey is CCPNROGXUMPXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-3-4-13(2)9(14)7-5-11-6-8(10)12-7/h1,5-6H,4H2,2H3.
What are the key properties of 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide?
6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide has a molecular weight of 209.64 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide is sourced from PubChem (CID 106551756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).