N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide

C24H33ClN6O2 — CID 70794000

IUPACN-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H33ClN6O2/c1-16(32)27-11-17-2-4-19(5-3-17)30-23-10-20(21(25)13-29-23)22-14-26-15-24(31-22)28-12-18-6-8-33-9-7-18/h10,13-15,17-19H,2-9,11-12H2,1H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyKECDZJDBYUHEDP-UHFFFAOYSA-N
MW473.02 g/mol
LogP4.14
Rot. Bonds8

About N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide

N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide (PubChem CID 70794000) has the molecular formula C24H33ClN6O2 and a molecular weight of 473.02 g/mol. Its IUPAC name is N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide
PubChem CID70794000
Molecular FormulaC24H33ClN6O2
Molecular Weight473.02 g/mol
Exact Mass472.24
IUPAC NameN-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H33ClN6O2/c1-16(32)27-11-17-2-4-19(5-3-17)30-23-10-20(21(25)13-29-23)22-14-26-15-24(31-22)28-12-18-6-8-33-9-7-18/h10,13-15,17-19H,2-9,11-12H2,1H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyKECDZJDBYUHEDP-UHFFFAOYSA-N
XLogP4.14
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide?
The IUPAC name of N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide (CID 70794000) is N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1.
What is the InChIKey of N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide?
The InChIKey is KECDZJDBYUHEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN6O2/c1-16(32)27-11-17-2-4-19(5-3-17)30-23-10-20(21(25)13-29-23)22-14-26-15-24(31-22)28-12-18-6-8-33-9-7-18/h10,13-15,17-19H,2-9,11-12H2,1H3,(H,27,32)(H,28,31)(H,29,30).
What are the key properties of N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide?
N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide has a molecular weight of 473.02 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 70794000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).