6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine

C21H26ClN5 — CID 171362702

IUPAC6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine
SMILESCN1CCC(CNc2ccc(CNc3cc(Cl)cc4[nH]ccc34)cn2)CC1
InChIInChI=1S/C21H26ClN5/c1-27-8-5-15(6-9-27)12-25-21-3-2-16(14-26-21)13-24-20-11-17(22)10-19-18(20)4-7-23-19/h2-4,7,10-11,14-15,23-24H,5-6,8-9,12-13H2,1H3,(H,25,26)
InChIKeyKAWMSCNPZACOEC-UHFFFAOYSA-N
MW383.93 g/mol
LogP4.58
Rot. Bonds6

About 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine

6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine (PubChem CID 171362702) has the molecular formula C21H26ClN5 and a molecular weight of 383.93 g/mol. Its IUPAC name is 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine
PubChem CID171362702
Molecular FormulaC21H26ClN5
Molecular Weight383.93 g/mol
Exact Mass383.19
IUPAC Name6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine
SMILESCN1CCC(CNc2ccc(CNc3cc(Cl)cc4[nH]ccc34)cn2)CC1
InChIInChI=1S/C21H26ClN5/c1-27-8-5-15(6-9-27)12-25-21-3-2-16(14-26-21)13-24-20-11-17(22)10-19-18(20)4-7-23-19/h2-4,7,10-11,14-15,23-24H,5-6,8-9,12-13H2,1H3,(H,25,26)
InChIKeyKAWMSCNPZACOEC-UHFFFAOYSA-N
XLogP4.58
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 174191875
1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine
CID 171362884
6-chloro-N-(1-methylpiperidin-4-yl)-1H-indol-4-amine
CID 130361840
6-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methylamino]-2,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-one
CID 171362688
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114869240
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987
5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60856626
6-chloro-N-(6-cyclopropyl-2-pyridinyl)-1H-indol-4-amine
CID 151335762
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60855947
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
4-chloro-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658637

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine?
The IUPAC name of 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine (CID 171362702) is 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine.
What is the SMILES notation for 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine?
The canonical SMILES for 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine is CN1CCC(CNc2ccc(CNc3cc(Cl)cc4[nH]ccc34)cn2)CC1.
What is the InChIKey of 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine?
The InChIKey is KAWMSCNPZACOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5/c1-27-8-5-15(6-9-27)12-25-21-3-2-16(14-26-21)13-24-20-11-17(22)10-19-18(20)4-7-23-19/h2-4,7,10-11,14-15,23-24H,5-6,8-9,12-13H2,1H3,(H,25,26).
What are the key properties of 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine?
6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine has a molecular weight of 383.93 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-indol-4-amine is sourced from PubChem (CID 171362702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).