N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide

C14H14ClN3O2 — CID 75508216

IUPACN-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1cnccn1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O2/c1-14(20,10-4-2-3-5-11(10)15)9-18-13(19)12-8-16-6-7-17-12/h2-8,20H,9H2,1H3,(H,18,19)
InChIKeyUAKKBBWPYZFSJJ-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.77
Rot. Bonds4

About N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide

N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide (PubChem CID 75508216) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
PubChem CID75508216
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1cnccn1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O2/c1-14(20,10-4-2-3-5-11(10)15)9-18-13(19)12-8-16-6-7-17-12/h2-8,20H,9H2,1H3,(H,18,19)
InChIKeyUAKKBBWPYZFSJJ-UHFFFAOYSA-N
XLogP1.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-2-pyridin-3-ylacetamide
CID 99701809
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
CID 75523447
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 75508221
1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97308686
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide
CID 86793655
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
CID 86793674
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazine-2-carboxamide
CID 30524608
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5422251

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide (CID 75508216) is N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide is CC(O)(CNC(=O)c1cnccn1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide?
The InChIKey is UAKKBBWPYZFSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-14(20,10-4-2-3-5-11(10)15)9-18-13(19)12-8-16-6-7-17-12/h2-8,20H,9H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide?
N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75508216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).