N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide

C15H17N3O2 — CID 111471624

IUPACN-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCC(O)c2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-9-18-13(10-17-11)15(20)16-8-7-14(19)12-5-3-2-4-6-12/h2-6,9-10,14,19H,7-8H2,1H3,(H,16,20)
InChIKeyNILLZXMXKJDSBJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.64
Rot. Bonds5

About N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide

N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide (PubChem CID 111471624) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
PubChem CID111471624
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCC(O)c2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-9-18-13(10-17-11)15(20)16-8-7-14(19)12-5-3-2-4-6-12/h2-6,9-10,14,19H,7-8H2,1H3,(H,16,20)
InChIKeyNILLZXMXKJDSBJ-UHFFFAOYSA-N
XLogP1.64
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 42783473
N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1031758
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
CID 71865584
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide (CID 111471624) is N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCCC(O)c2ccccc2)cn1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is NILLZXMXKJDSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-9-18-13(10-17-11)15(20)16-8-7-14(19)12-5-3-2-4-6-12/h2-6,9-10,14,19H,7-8H2,1H3,(H,16,20).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 111471624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).