N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide

C19H19N5O2 — CID 75489434

IUPACN-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide
SMILESO=C(CNC(=O)c1cnccn1)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H19N5O2/c25-17(11-22-19(26)16-10-20-8-9-21-16)23-15-7-3-5-13-12-4-1-2-6-14(12)24-18(13)15/h1-2,4,6,8-10,15,24H,3,5,7,11H2,(H,22,26)(H,23,25)
InChIKeyWBTXDQLWUIQSIB-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.88
Rot. Bonds4

About N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide

N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 75489434) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide
PubChem CID75489434
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide
SMILESO=C(CNC(=O)c1cnccn1)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H19N5O2/c25-17(11-22-19(26)16-10-20-8-9-21-16)23-15-7-3-5-13-12-4-1-2-6-14(12)24-18(13)15/h1-2,4,6,8-10,15,24H,3,5,7,11H2,(H,22,26)(H,23,25)
InChIKeyWBTXDQLWUIQSIB-UHFFFAOYSA-N
XLogP1.88
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide
CID 126417795
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
CID 75489736
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide
CID 97496745
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333441
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 110205202
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 99755071
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide
CID 125431910
3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 135639778

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide (CID 75489434) is N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide is O=C(CNC(=O)c1cnccn1)NC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is WBTXDQLWUIQSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-17(11-22-19(26)16-10-20-8-9-21-16)23-15-7-3-5-13-12-4-1-2-6-14(12)24-18(13)15/h1-2,4,6,8-10,15,24H,3,5,7,11H2,(H,22,26)(H,23,25).
What are the key properties of N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide?
N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75489434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).