N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide

C23H27N5O2 — CID 126417795

IUPACN-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide
SMILESO=C(CCCCCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H27N5O2/c29-21(11-2-1-5-12-26-23(30)20-15-24-13-14-25-20)27-19-10-6-8-17-16-7-3-4-9-18(16)28-22(17)19/h3-4,7,9,13-15,19,28H,1-2,5-6,8,10-12H2,(H,26,30)(H,27,29)/t19-/m0/s1
InChIKeySHFNAVLZIADQGX-IBGZPJMESA-N
MW405.50 g/mol
LogP3.44
Rot. Bonds8

About N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide

N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide (PubChem CID 126417795) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide
PubChem CID126417795
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide
SMILESO=C(CCCCCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H27N5O2/c29-21(11-2-1-5-12-26-23(30)20-15-24-13-14-25-20)27-19-10-6-8-17-16-7-3-4-9-18(16)28-22(17)19/h3-4,7,9,13-15,19,28H,1-2,5-6,8,10-12H2,(H,26,30)(H,27,29)/t19-/m0/s1
InChIKeySHFNAVLZIADQGX-IBGZPJMESA-N
XLogP3.44
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide
CID 75489434
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide
CID 125431910
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
CID 75489736
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 110205202
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pentanamide
CID 124878863
3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide
CID 97496745
3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 135639778
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 138723232
N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333441

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide (CID 126417795) is N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide is O=C(CCCCCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide?
The InChIKey is SHFNAVLZIADQGX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N5O2/c29-21(11-2-1-5-12-26-23(30)20-15-24-13-14-25-20)27-19-10-6-8-17-16-7-3-4-9-18(16)28-22(17)19/h3-4,7,9,13-15,19,28H,1-2,5-6,8,10-12H2,(H,26,30)(H,27,29)/t19-/m0/s1.
What are the key properties of N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide?
N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 126417795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).