(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride

C21H25ClN4O2 — CID 120636790

IUPAC(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CCN1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-14-11-16(6-9-23-14)20(26)24-18-4-5-19-15(12-18)7-10-25(19)21(27)17-3-2-8-22-13-17;/h2-5,8,12-14,16,23H,6-7,9-11H2,1H3,(H,24,26);1H/t14-,16-;/m0./s1
InChIKeyGLNLEXJFYPUOJV-DMLYUBSXSA-N
MW400.91 g/mol
LogP3.03
Rot. Bonds3

About (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120636790) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID120636790
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CCN1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-14-11-16(6-9-23-14)20(26)24-18-4-5-19-15(12-18)7-10-25(19)21(27)17-3-2-8-22-13-17;/h2-5,8,12-14,16,23H,6-7,9-11H2,1H3,(H,24,26);1H/t14-,16-;/m0./s1
InChIKeyGLNLEXJFYPUOJV-DMLYUBSXSA-N
XLogP3.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

cis-(1R,3S)-2,2-dimethyl-3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391406
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119942245
3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one
CID 125431268
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]acetamide
CID 110623427
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
(2S)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]oxolane-2-carboxamide
CID 42344151
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide
CID 86963920
2-cyclopropyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110623614
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride (CID 120636790) is (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is GLNLEXJFYPUOJV-DMLYUBSXSA-N. The full InChI is InChI=1S/C21H24N4O2.ClH/c1-14-11-16(6-9-23-14)20(26)24-18-4-5-19-15(12-18)7-10-25(19)21(27)17-3-2-8-22-13-17;/h2-5,8,12-14,16,23H,6-7,9-11H2,1H3,(H,24,26);1H/t14-,16-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).