(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide

C21H24N4O2 — CID 155952931

IUPAC(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccnc1N1CCCC1
InChIInChI=1S/C21H24N4O2/c1-15(26)25-18-9-3-2-7-16(18)13-19(25)21(27)23-14-17-8-6-10-22-20(17)24-11-4-5-12-24/h2-3,6-10,19H,4-5,11-14H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyOQPTZXAPDDSYPA-IBGZPJMESA-N
MW364.45 g/mol
LogP2.28
Rot. Bonds4

About (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 155952931) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID155952931
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccnc1N1CCCC1
InChIInChI=1S/C21H24N4O2/c1-15(26)25-18-9-3-2-7-16(18)13-19(25)21(27)23-14-17-8-6-10-22-20(17)24-11-4-5-12-24/h2-3,6-10,19H,4-5,11-14H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyOQPTZXAPDDSYPA-IBGZPJMESA-N
XLogP2.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954431
1-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20876883
(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 138995578
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2S)-1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]azepane-2-carboxamide
CID 25461455
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 86941910
1-acetyl-5-(azepan-1-ylsulfonyl)-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 20956780

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide (CID 155952931) is (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccnc1N1CCCC1.
What is the InChIKey of (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is OQPTZXAPDDSYPA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(26)25-18-9-3-2-7-16(18)13-19(25)21(27)23-14-17-8-6-10-22-20(17)24-11-4-5-12-24/h2-3,6-10,19H,4-5,11-14H2,1H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 155952931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).