5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine

C21H23ClN6 — CID 70794041

IUPAC5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
SMILESClc1cnc(NC2CCNCC2)cc1-c1cccc(NCc2ccncc2)n1
InChIInChI=1S/C21H23ClN6/c22-18-14-26-21(27-16-6-10-24-11-7-16)12-17(18)19-2-1-3-20(28-19)25-13-15-4-8-23-9-5-15/h1-5,8-9,12,14,16,24H,6-7,10-11,13H2,(H,25,28)(H,26,27)
InChIKeyRNOMTFCEQZQMQB-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.97
Rot. Bonds6

About 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine

5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine (PubChem CID 70794041) has the molecular formula C21H23ClN6 and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
PubChem CID70794041
Molecular FormulaC21H23ClN6
Molecular Weight394.91 g/mol
Exact Mass394.17
IUPAC Name5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
SMILESClc1cnc(NC2CCNCC2)cc1-c1cccc(NCc2ccncc2)n1
InChIInChI=1S/C21H23ClN6/c22-18-14-26-21(27-16-6-10-24-11-7-16)12-17(18)19-2-1-3-20(28-19)25-13-15-4-8-23-9-5-15/h1-5,8-9,12,14,16,24H,6-7,10-11,13H2,(H,25,28)(H,26,27)
InChIKeyRNOMTFCEQZQMQB-UHFFFAOYSA-N
XLogP3.97
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine (CID 70794041) is 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine is Clc1cnc(NC2CCNCC2)cc1-c1cccc(NCc2ccncc2)n1.
What is the InChIKey of 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine?
The InChIKey is RNOMTFCEQZQMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6/c22-18-14-26-21(27-16-6-10-24-11-7-16)12-17(18)19-2-1-3-20(28-19)25-13-15-4-8-23-9-5-15/h1-5,8-9,12,14,16,24H,6-7,10-11,13H2,(H,25,28)(H,26,27).
What are the key properties of 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine?
5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine has a molecular weight of 394.91 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 70794041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).