N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide

C17H15N5O3 — CID 3652353

IUPACN-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC(CO)C(=O)Nc1ccc2ncccc2c1)c1cnccn1
InChIInChI=1S/C17H15N5O3/c23-10-15(22-16(24)14-9-18-6-7-20-14)17(25)21-12-3-4-13-11(8-12)2-1-5-19-13/h1-9,15,23H,10H2,(H,21,25)(H,22,24)
InChIKeyGJQQWUORRUMNBQ-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.75
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide

N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide (PubChem CID 3652353) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide
PubChem CID3652353
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC(CO)C(=O)Nc1ccc2ncccc2c1)c1cnccn1
InChIInChI=1S/C17H15N5O3/c23-10-15(22-16(24)14-9-18-6-7-20-14)17(25)21-12-3-4-13-11(8-12)2-1-5-19-13/h1-9,15,23H,10H2,(H,21,25)(H,22,24)
InChIKeyGJQQWUORRUMNBQ-UHFFFAOYSA-N
XLogP0.75
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide (CID 3652353) is N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide is O=C(NC(CO)C(=O)Nc1ccc2ncccc2c1)c1cnccn1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide?
The InChIKey is GJQQWUORRUMNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c23-10-15(22-16(24)14-9-18-6-7-20-14)17(25)21-12-3-4-13-11(8-12)2-1-5-19-13/h1-9,15,23H,10H2,(H,21,25)(H,22,24).
What are the key properties of N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide?
N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 3652353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).