N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide

C19H17N3O3 — CID 99790517

IUPACN-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H](C#N)c3ccccc3OC)cc2c1
InChIInChI=1S/C19H17N3O3/c1-24-13-7-8-15-12(9-13)10-16(21-15)19(23)22-17(11-20)14-5-3-4-6-18(14)25-2/h3-10,17,21H,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyZYENRUVGLIFSPK-KRWDZBQOSA-N
MW335.36 g/mol
LogP3.18
Rot. Bonds5

About N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide

N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 99790517) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID99790517
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H](C#N)c3ccccc3OC)cc2c1
InChIInChI=1S/C19H17N3O3/c1-24-13-7-8-15-12(9-13)10-16(21-15)19(23)22-17(11-20)14-5-3-4-6-18(14)25-2/h3-10,17,21H,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyZYENRUVGLIFSPK-KRWDZBQOSA-N
XLogP3.18
TPSA87.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55579430
N-[(S)-cyano-(2-methylphenyl)methyl]-2,5-dimethoxybenzamide
CID 95769630
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-[1-(2,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 71897962
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide (CID 99790517) is N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@@H](C#N)c3ccccc3OC)cc2c1.
What is the InChIKey of N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is ZYENRUVGLIFSPK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-13-7-8-15-12(9-13)10-16(21-15)19(23)22-17(11-20)14-5-3-4-6-18(14)25-2/h3-10,17,21H,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide?
N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 99790517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).