N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide

C22H19N3O4 — CID 11610782

IUPACN-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC3(C#Cc4ccc(C(=O)NO)cc4)CC3)cc2c1
InChIInChI=1S/C22H19N3O4/c1-29-17-6-7-18-16(12-17)13-19(23-18)21(27)24-22(10-11-22)9-8-14-2-4-15(5-3-14)20(26)25-28/h2-7,12-13,23,28H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyFBVNKDJWQKUHNN-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.61
Rot. Bonds4

About N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide

N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 11610782) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID11610782
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC3(C#Cc4ccc(C(=O)NO)cc4)CC3)cc2c1
InChIInChI=1S/C22H19N3O4/c1-29-17-6-7-18-16(12-17)13-19(23-18)21(27)24-22(10-11-22)9-8-14-2-4-15(5-3-14)20(26)25-28/h2-7,12-13,23,28H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyFBVNKDJWQKUHNN-UHFFFAOYSA-N
XLogP2.61
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopentyl]-1H-indole-2-carboxamide
CID 11639631
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 41145274
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide
CID 11782370
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
N-(2-fluoro-4-iodophenyl)-5-methoxy-1H-indole-2-carboxamide
CID 2742913
5-[2-(dimethylamino)ethoxy]-N-[3-[4-(methoxycarbamoyl)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 89380202
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide (CID 11610782) is N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NC3(C#Cc4ccc(C(=O)NO)cc4)CC3)cc2c1.
What is the InChIKey of N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is FBVNKDJWQKUHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-29-17-6-7-18-16(12-17)13-19(23-18)21(27)24-22(10-11-22)9-8-14-2-4-15(5-3-14)20(26)25-28/h2-7,12-13,23,28H,10-11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide?
N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 11610782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).