N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide

C18H17N3O — CID 127035500

IUPACN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide
SMILESN[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N3O/c19-15-10-14(15)11-5-7-13(8-6-11)20-18(22)17-9-12-3-1-2-4-16(12)21-17/h1-9,14-15,21H,10,19H2,(H,20,22)/t14-,15+/m0/s1
InChIKeyRUFLTUCAFVGHGI-LSDHHAIUSA-N
MW291.35 g/mol
LogP3.23
Rot. Bonds3

About N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide

N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 127035500) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide
PubChem CID127035500
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide
SMILESN[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N3O/c19-15-10-14(15)11-5-7-13(8-6-11)20-18(22)17-9-12-3-1-2-4-16(12)21-17/h1-9,14-15,21H,10,19H2,(H,20,22)/t14-,15+/m0/s1
InChIKeyRUFLTUCAFVGHGI-LSDHHAIUSA-N
XLogP3.23
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride
CID 170691820
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
CID 43823296
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide
CID 30780430
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide
CID 86729837

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide (CID 127035500) is N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide is N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is RUFLTUCAFVGHGI-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H17N3O/c19-15-10-14(15)11-5-7-13(8-6-11)20-18(22)17-9-12-3-1-2-4-16(12)21-17/h1-9,14-15,21H,10,19H2,(H,20,22)/t14-,15+/m0/s1.
What are the key properties of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide?
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 127035500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).