5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine

C23H28ClN5 — CID 123261978

IUPAC5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine
SMILESCC1CCC(Nc2cc(C3=NC(NCc4ccncc4)CC=C3)c(Cl)cn2)CC1
InChIInChI=1S/C23H28ClN5/c1-16-5-7-18(8-6-16)28-23-13-19(20(24)15-27-23)21-3-2-4-22(29-21)26-14-17-9-11-25-12-10-17/h2-3,9-13,15-16,18,22,26H,4-8,14H2,1H3,(H,27,28)
InChIKeyIKTJSEBWPTVBHZ-UHFFFAOYSA-N
MW409.97 g/mol
LogP4.99
Rot. Bonds6

About 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine

5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine (PubChem CID 123261978) has the molecular formula C23H28ClN5 and a molecular weight of 409.97 g/mol. Its IUPAC name is 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine
PubChem CID123261978
Molecular FormulaC23H28ClN5
Molecular Weight409.97 g/mol
Exact Mass409.20
IUPAC Name5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine
SMILESCC1CCC(Nc2cc(C3=NC(NCc4ccncc4)CC=C3)c(Cl)cn2)CC1
InChIInChI=1S/C23H28ClN5/c1-16-5-7-18(8-6-16)28-23-13-19(20(24)15-27-23)21-3-2-4-22(29-21)26-14-17-9-11-25-12-10-17/h2-3,9-13,15-16,18,22,26H,4-8,14H2,1H3,(H,27,28)
InChIKeyIKTJSEBWPTVBHZ-UHFFFAOYSA-N
XLogP4.99
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.97
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine (CID 123261978) is 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine is CC1CCC(Nc2cc(C3=NC(NCc4ccncc4)CC=C3)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine?
The InChIKey is IKTJSEBWPTVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5/c1-16-5-7-18(8-6-16)28-23-13-19(20(24)15-27-23)21-3-2-4-22(29-21)26-14-17-9-11-25-12-10-17/h2-3,9-13,15-16,18,22,26H,4-8,14H2,1H3,(H,27,28).
What are the key properties of 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine?
5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine has a molecular weight of 409.97 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylcyclohexyl)-4-[2-(pyridin-4-ylmethylamino)-2,3-dihydropyridin-6-yl]pyridin-2-amine is sourced from PubChem (CID 123261978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).