N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide

C14H11N3O2 — CID 62200673

IUPACN-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C#CCO)c1)c1cnccn1
InChIInChI=1S/C14H11N3O2/c18-8-2-4-11-3-1-5-12(9-11)17-14(19)13-10-15-6-7-16-13/h1,3,5-7,9-10,18H,8H2,(H,17,19)
InChIKeyBDXTURKJJHIGEU-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.07
Rot. Bonds2

About N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide

N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide (PubChem CID 62200673) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
PubChem CID62200673
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C#CCO)c1)c1cnccn1
InChIInChI=1S/C14H11N3O2/c18-8-2-4-11-3-1-5-12(9-11)17-14(19)13-10-15-6-7-16-13/h1,3,5-7,9-10,18H,8H2,(H,17,19)
InChIKeyBDXTURKJJHIGEU-UHFFFAOYSA-N
XLogP1.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]pyrazine-2-carboxamide
CID 62200861
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 65433519
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105064266
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
N-(3-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959691
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803799
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804690

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide (CID 62200673) is N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(C#CCO)c1)c1cnccn1.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is BDXTURKJJHIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-8-2-4-11-3-1-5-12(9-11)17-14(19)13-10-15-6-7-16-13/h1,3,5-7,9-10,18H,8H2,(H,17,19).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide?
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 62200673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).