N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C22H29N5O3S — CID 47050699

IUPACN-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCN1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cn2)CC1
InChIInChI=1S/C22H29N5O3S/c1-25-9-3-10-26(13-12-25)21-7-4-17(15-23-21)16-24-22(28)19-5-6-20-18(14-19)8-11-27(20)31(2,29)30/h4-7,14-15H,3,8-13,16H2,1-2H3,(H,24,28)
InChIKeyBLMPTGQQKSJIRS-UHFFFAOYSA-N
MW443.57 g/mol
LogP1.48
Rot. Bonds5

About N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 47050699) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID47050699
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC NameN-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCN1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cn2)CC1
InChIInChI=1S/C22H29N5O3S/c1-25-9-3-10-26(13-12-25)21-7-4-17(15-23-21)16-24-22(28)19-5-6-20-18(14-19)8-11-27(20)31(2,29)30/h4-7,14-15H,3,8-13,16H2,1-2H3,(H,24,28)
InChIKeyBLMPTGQQKSJIRS-UHFFFAOYSA-N
XLogP1.48
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide with MolForge

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Related Compounds

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160452
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-4-phenoxybenzamide
CID 47050637
N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 5295612
1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 32586377
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55518216
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[(3-fluoro-4-methylphenyl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25316758
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[2-(4-aminophenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119548178
1-methylsulfonyl-N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55903614

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 47050699) is N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CN1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cn2)CC1.
What is the InChIKey of N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is BLMPTGQQKSJIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-25-9-3-10-26(13-12-25)21-7-4-17(15-23-21)16-24-22(28)19-5-6-20-18(14-19)8-11-27(20)31(2,29)30/h4-7,14-15H,3,8-13,16H2,1-2H3,(H,24,28).
What are the key properties of N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 47050699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).