N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide

C15H16ClN3O — CID 18442852

IUPACN-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
SMILESN[C@H]1CC=CC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H16ClN3O/c16-10-5-6-12-9(7-10)8-14(18-12)15(20)19-13-4-2-1-3-11(13)17/h1-2,5-8,11,13,18H,3-4,17H2,(H,19,20)/t11-,13+/m0/s1
InChIKeyGQKKQUOGDYGLPX-WCQYABFASA-N
MW289.77 g/mol
LogP2.60
Rot. Bonds2

About N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide

N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide (PubChem CID 18442852) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
PubChem CID18442852
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
SMILESN[C@H]1CC=CC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H16ClN3O/c16-10-5-6-12-9(7-10)8-14(18-12)15(20)19-13-4-2-1-3-11(13)17/h1-2,5-8,11,13,18H,3-4,17H2,(H,19,20)/t11-,13+/m0/s1
InChIKeyGQKKQUOGDYGLPX-WCQYABFASA-N
XLogP2.60
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
N-[(3aR,5R,6S,7aS)-6-amino-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-chloro-1H-indole-2-carboxamide
CID 68907064
N-[(3aS,5R,6S,7aR)-6-amino-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-chloro-1H-indole-2-carboxamide
CID 68905442
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442866
ethyl (1R,3S,4R)-3-amino-4-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 67056797
N-[(1R,2S)-2-amino-4-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]-5-chloro-1H-indole-2-carboxamide;hydrochloride
CID 70662076
tert-butyl (4S)-3-amino-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 68602421
[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-5-oxooxolan-3-yl]carbamic acid
CID 67056443
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(hydroxymethyl)cyclohexyl]carbamic acid
CID 67056497

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide (CID 18442852) is N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide is N[C@H]1CC=CC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is GQKKQUOGDYGLPX-WCQYABFASA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-10-5-6-12-9(7-10)8-14(18-12)15(20)19-13-4-2-1-3-11(13)17/h1-2,5-8,11,13,18H,3-4,17H2,(H,19,20)/t11-,13+/m0/s1.
What are the key properties of N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide?
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 18442852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).