N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide

C19H19N5O3 — CID 3586130

IUPACN-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC(CO)C(=O)N1CCc2c([nH]c3ccccc23)C1)c1cnccn1
InChIInChI=1S/C19H19N5O3/c25-11-17(23-18(26)15-9-20-6-7-21-15)19(27)24-8-5-13-12-3-1-2-4-14(12)22-16(13)10-24/h1-4,6-7,9,17,22,25H,5,8,10-11H2,(H,23,26)
InChIKeyXASNDGVZQJCAJJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.63
Rot. Bonds4

About N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide

N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide (PubChem CID 3586130) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide
PubChem CID3586130
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC(CO)C(=O)N1CCc2c([nH]c3ccccc23)C1)c1cnccn1
InChIInChI=1S/C19H19N5O3/c25-11-17(23-18(26)15-9-20-6-7-21-15)19(27)24-8-5-13-12-3-1-2-4-14(12)22-16(13)10-24/h1-4,6-7,9,17,22,25H,5,8,10-11H2,(H,23,26)
InChIKeyXASNDGVZQJCAJJ-UHFFFAOYSA-N
XLogP0.63
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 6724640
4-tert-butyl-N-[(2S)-3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]benzenesulfonamide
CID 6667469
N-[(2S)-3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 6724386
benzyl 4-[3-hydroxy-2-(pyrazine-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate
CID 3336506
2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]acetamide
CID 4227978
N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide
CID 46700233
2-phenoxy-1-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)ethanone
CID 84580494
2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42507400
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 70766706
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353
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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide (CID 3586130) is N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide is O=C(NC(CO)C(=O)N1CCc2c([nH]c3ccccc23)C1)c1cnccn1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide?
The InChIKey is XASNDGVZQJCAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-11-17(23-18(26)15-9-20-6-7-21-15)19(27)24-8-5-13-12-3-1-2-4-14(12)22-16(13)10-24/h1-4,6-7,9,17,22,25H,5,8,10-11H2,(H,23,26).
What are the key properties of N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide?
N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 3586130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).