N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine

C21H25ClN4 — CID 141375005

IUPACN-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cncc(-c3cc4ccc(Cl)cc4n3C)c2)CC1
InChIInChI=1S/C21H25ClN4/c1-25-7-5-19(6-8-25)24-13-15-9-17(14-23-12-15)20-10-16-3-4-18(22)11-21(16)26(20)2/h3-4,9-12,14,19,24H,5-8,13H2,1-2H3
InChIKeyLBBISXQGBCWXAH-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.08
Rot. Bonds4

About N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine

N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 141375005) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine
PubChem CID141375005
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC NameN-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cncc(-c3cc4ccc(Cl)cc4n3C)c2)CC1
InChIInChI=1S/C21H25ClN4/c1-25-7-5-19(6-8-25)24-13-15-9-17(14-23-12-15)20-10-16-3-4-18(22)11-21(16)26(20)2/h3-4,9-12,14,19,24H,5-8,13H2,1-2H3
InChIKeyLBBISXQGBCWXAH-UHFFFAOYSA-N
XLogP4.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine with MolForge

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Related Compounds

6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile
CID 59534644
6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole
CID 58215723
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
5-chloro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 118140383
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 105395766
1-methyl-N-[(4-trimethylsilylphenyl)methyl]piperidin-4-amine
CID 103437564
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 114732262

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine (CID 141375005) is N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2cncc(-c3cc4ccc(Cl)cc4n3C)c2)CC1.
What is the InChIKey of N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is LBBISXQGBCWXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-25-7-5-19(6-8-25)24-13-15-9-17(14-23-12-15)20-10-16-3-4-18(22)11-21(16)26(20)2/h3-4,9-12,14,19,24H,5-8,13H2,1-2H3.
What are the key properties of N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine?
N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 368.91 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 141375005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).