N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide

C22H23N3O — CID 90214102

IUPACN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N3O/c26-22(19-13-24-20-4-2-1-3-17(19)20)25-16-9-7-15(8-10-16)18-11-21(18)23-12-14-5-6-14/h1-4,7-10,13-14,18,21,23-24H,5-6,11-12H2,(H,25,26)/t18-,21+/m0/s1
InChIKeyBEAXWXRCGCVWQK-GHTZIAJQSA-N
MW345.45 g/mol
LogP4.28
Rot. Bonds6

About N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide (PubChem CID 90214102) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide
PubChem CID90214102
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N3O/c26-22(19-13-24-20-4-2-1-3-17(19)20)25-16-9-7-15(8-10-16)18-11-21(18)23-12-14-5-6-14/h1-4,7-10,13-14,18,21,23-24H,5-6,11-12H2,(H,25,26)/t18-,21+/m0/s1
InChIKeyBEAXWXRCGCVWQK-GHTZIAJQSA-N
XLogP4.28
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
CID 160904336
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide
CID 118378754
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90213944
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 71260518

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide (CID 90214102) is N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide is O=C(Nc1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide?
The InChIKey is BEAXWXRCGCVWQK-GHTZIAJQSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(19-13-24-20-4-2-1-3-17(19)20)25-16-9-7-15(8-10-16)18-11-21(18)23-12-14-5-6-14/h1-4,7-10,13-14,18,21,23-24H,5-6,11-12H2,(H,25,26)/t18-,21+/m0/s1.
What are the key properties of N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide?
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.28, 6 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-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 90214102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).