N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide

C23H29N5O — CID 151897106

IUPACN-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(CNC(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C23H29N5O/c1-4-19-20-14-17(15-25-23(29)28-11-9-27(3)10-12-28)5-6-21(20)26-22(19)18-7-8-24-16(2)13-18/h5-8,13-14,26H,4,9-12,15H2,1-3H3,(H,25,29)
InChIKeySRYSYFRCBDMYCZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.56
Rot. Bonds4

About N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide

N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide (PubChem CID 151897106) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
PubChem CID151897106
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(CNC(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C23H29N5O/c1-4-19-20-14-17(15-25-23(29)28-11-9-27(3)10-12-28)5-6-21(20)26-22(19)18-7-8-24-16(2)13-18/h5-8,13-14,26H,4,9-12,15H2,1-3H3,(H,25,29)
InChIKeySRYSYFRCBDMYCZ-UHFFFAOYSA-N
XLogP3.56
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide with MolForge

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Related Compounds

3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051
N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122557299
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 138019313
N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4,7-dimethyl-1,4,7-triazonane-1-carboxamide
CID 138018751
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
N-[(2-methyl-1H-indol-6-yl)methyl]pyrrolidine-1-carboxamide
CID 155961051
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
3-ethyl-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 156841417
N-[(2-methyl-4-pyridinyl)methyl]-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 122562490
N-[(4-chlorophenyl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carboxamide
CID 163353447
2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
CID 154640027

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide (CID 151897106) is N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide is CCc1c(-c2ccnc(C)c2)[nH]c2ccc(CNC(=O)N3CCN(C)CC3)cc12.
What is the InChIKey of N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is SRYSYFRCBDMYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-4-19-20-14-17(15-25-23(29)28-11-9-27(3)10-12-28)5-6-21(20)26-22(19)18-7-8-24-16(2)13-18/h5-8,13-14,26H,4,9-12,15H2,1-3H3,(H,25,29).
What are the key properties of N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide?
N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 151897106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).