N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide

C18H21ClN4O3 — CID 156607011

IUPACN-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2[nH]c3ccccc3c2Cl)CN1C(C)=O
InChIInChI=1S/C18H21ClN4O3/c1-3-20-17(25)14-8-11(9-23(14)10(2)24)21-18(26)16-15(19)12-6-4-5-7-13(12)22-16/h4-7,11,14,22H,3,8-9H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyCZXRKRPLDIHUEO-UHFFFAOYSA-N
MW376.84 g/mol
LogP1.68
Rot. Bonds4

About N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide

N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide (PubChem CID 156607011) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide
PubChem CID156607011
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC NameN-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2[nH]c3ccccc3c2Cl)CN1C(C)=O
InChIInChI=1S/C18H21ClN4O3/c1-3-20-17(25)14-8-11(9-23(14)10(2)24)21-18(26)16-15(19)12-6-4-5-7-13(12)22-16/h4-7,11,14,22H,3,8-9H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyCZXRKRPLDIHUEO-UHFFFAOYSA-N
XLogP1.68
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide
CID 156604328
(2S,4S)-4-(cyclobutanecarbonylamino)-N-ethyl-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 72854385
N-[2-[4-acetamido-2-[[5-[[1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide
CID 25235008
1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide
CID 156606944
ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 55934184
3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 71879951
N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide
CID 156604350
3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55912741
3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide
CID 166236895
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide
CID 47048118
(2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 56722736
N-cyclopropyl-3-methoxy-1H-indole-2-carboxamide
CID 166192754

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide (CID 156607011) is N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide is CCNC(=O)C1CC(NC(=O)c2[nH]c3ccccc3c2Cl)CN1C(C)=O.
What is the InChIKey of N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide?
The InChIKey is CZXRKRPLDIHUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-3-20-17(25)14-8-11(9-23(14)10(2)24)21-18(26)16-15(19)12-6-4-5-7-13(12)22-16/h4-7,11,14,22H,3,8-9H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide?
N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 156607011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).