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

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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).