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

C21H23ClN6 — CID 123231805

IUPAC5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine
SMILESClc1cnc(NC2CCNCC2)cc1-c1ccnc(NCc2ccncc2)c1
InChIInChI=1S/C21H23ClN6/c22-19-14-27-21(28-17-4-8-24-9-5-17)12-18(19)16-3-10-25-20(11-16)26-13-15-1-6-23-7-2-15/h1-3,6-7,10-12,14,17,24H,4-5,8-9,13H2,(H,25,26)(H,27,28)
InChIKeyNVPPYBCUPODJIP-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.97
Rot. Bonds6

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

5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine (PubChem CID 123231805) 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-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine
PubChem CID123231805
Molecular FormulaC21H23ClN6
Molecular Weight394.91 g/mol
Exact Mass394.17
IUPAC Name5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine
SMILESClc1cnc(NC2CCNCC2)cc1-c1ccnc(NCc2ccncc2)c1
InChIInChI=1S/C21H23ClN6/c22-19-14-27-21(28-17-4-8-24-9-5-17)12-18(19)16-3-10-25-20(11-16)26-13-15-1-6-23-7-2-15/h1-3,6-7,10-12,14,17,24H,4-5,8-9,13H2,(H,25,26)(H,27,28)
InChIKeyNVPPYBCUPODJIP-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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Related Compounds

Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381
Pyrazine-Pyridine Biheteroaryl 55
CID 5330383
Pyrazine-Pyridine Biheteroaryl 41
CID 5330389
Pyrazine-Pyridine Biheteroaryl 56
CID 5330390
5-(4-Chlorophenyl)-[3,3'-bipyridine]-6,6'-diamine
CID 118701008
Cdk9-IN-2
CID 49855228
US9205085, Msx-221
CID 49857488
Pyrazine-Pyridine Biheteroaryl 51
CID 5330379

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine (CID 123231805) is 5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine is Clc1cnc(NC2CCNCC2)cc1-c1ccnc(NCc2ccncc2)c1.
What is the InChIKey of 5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine?
The InChIKey is NVPPYBCUPODJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6/c22-19-14-27-21(28-17-4-8-24-9-5-17)12-18(19)16-3-10-25-20(11-16)26-13-15-1-6-23-7-2-15/h1-3,6-7,10-12,14,17,24H,4-5,8-9,13H2,(H,25,26)(H,27,28).
What are the key properties of 5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine?
5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-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-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 123231805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).