6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C25H25ClN4O2 — CID 89462988

IUPAC6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1nc(Oc2cccc(C=C3CCC(NC(=O)c4ccc(N)nc4)CC3)c2)ccc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-16-22(26)10-12-24(29-16)32-21-4-2-3-18(14-21)13-17-5-8-20(9-6-17)30-25(31)19-7-11-23(27)28-15-19/h2-4,7,10-15,20H,5-6,8-9H2,1H3,(H2,27,28)(H,30,31)/b17-13-
InChIKeyJGOATYZXXZDXAM-LGMDPLHJSA-N
MW448.95 g/mol
LogP5.57
Rot. Bonds5

About 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89462988) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89462988
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1nc(Oc2cccc(C=C3CCC(NC(=O)c4ccc(N)nc4)CC3)c2)ccc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-16-22(26)10-12-24(29-16)32-21-4-2-3-18(14-21)13-17-5-8-20(9-6-17)30-25(31)19-7-11-23(27)28-15-19/h2-4,7,10-15,20H,5-6,8-9H2,1H3,(H2,27,28)(H,30,31)/b17-13-
InChIKeyJGOATYZXXZDXAM-LGMDPLHJSA-N
XLogP5.57
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89462988) is 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is Cc1nc(Oc2cccc(C=C3CCC(NC(=O)c4ccc(N)nc4)CC3)c2)ccc1Cl.
What is the InChIKey of 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is JGOATYZXXZDXAM-LGMDPLHJSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-16-22(26)10-12-24(29-16)32-21-4-2-3-18(14-21)13-17-5-8-20(9-6-17)30-25(31)19-7-11-23(27)28-15-19/h2-4,7,10-15,20H,5-6,8-9H2,1H3,(H2,27,28)(H,30,31)/b17-13-.
What are the key properties of 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 448.95 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-[[3-[(5-chloro-6-methyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89462988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).