5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine

C21H27ClN4O — CID 70795336

IUPAC5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine
SMILESClc1cnc(NC2CCCCC2)cc1-c1cccc(NC2CCOCC2)n1
InChIInChI=1S/C21H27ClN4O/c22-18-14-23-21(25-15-5-2-1-3-6-15)13-17(18)19-7-4-8-20(26-19)24-16-9-11-27-12-10-16/h4,7-8,13-16H,1-3,5-6,9-12H2,(H,23,25)(H,24,26)
InChIKeySLDSFGCYBRQION-UHFFFAOYSA-N
MW386.93 g/mol
LogP5.13
Rot. Bonds5

About 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine

5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine (PubChem CID 70795336) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine
PubChem CID70795336
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine
SMILESClc1cnc(NC2CCCCC2)cc1-c1cccc(NC2CCOCC2)n1
InChIInChI=1S/C21H27ClN4O/c22-18-14-23-21(25-15-5-2-1-3-6-15)13-17(18)19-7-4-8-20(26-19)24-16-9-11-27-12-10-16/h4,7-8,13-16H,1-3,5-6,9-12H2,(H,23,25)(H,24,26)
InChIKeySLDSFGCYBRQION-UHFFFAOYSA-N
XLogP5.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.93
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine (CID 70795336) is 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine is Clc1cnc(NC2CCCCC2)cc1-c1cccc(NC2CCOCC2)n1.
What is the InChIKey of 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine?
The InChIKey is SLDSFGCYBRQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c22-18-14-23-21(25-15-5-2-1-3-6-15)13-17(18)19-7-4-8-20(26-19)24-16-9-11-27-12-10-16/h4,7-8,13-16H,1-3,5-6,9-12H2,(H,23,25)(H,24,26).
What are the key properties of 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine?
5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine has a molecular weight of 386.93 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 70795336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).