N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide

C26H32N6O2 — CID 121265985

IUPACN,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1
InChIInChI=1S/C26H32N6O2/c1-31(2)26(33)24-5-3-4-22(30-24)18-6-11-23-21(16-18)25(28-17-27-23)29-19-7-9-20(10-8-19)32-12-14-34-15-13-32/h3-6,11,16-17,19-20H,7-10,12-15H2,1-2H3,(H,27,28,29)
InChIKeyDEMHUEIVRRIJMV-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.45
Rot. Bonds5

About N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide

N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide (PubChem CID 121265985) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide
PubChem CID121265985
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC NameN,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1
InChIInChI=1S/C26H32N6O2/c1-31(2)26(33)24-5-3-4-22(30-24)18-6-11-23-21(16-18)25(28-17-27-23)29-19-7-9-20(10-8-19)32-12-14-34-15-13-32/h3-6,11,16-17,19-20H,7-10,12-15H2,1-2H3,(H,27,28,29)
InChIKeyDEMHUEIVRRIJMV-UHFFFAOYSA-N
XLogP3.45
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide (CID 121265985) is N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide is CN(C)C(=O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1.
What is the InChIKey of N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide?
The InChIKey is DEMHUEIVRRIJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-31(2)26(33)24-5-3-4-22(30-24)18-6-11-23-21(16-18)25(28-17-27-23)29-19-7-9-20(10-8-19)32-12-14-34-15-13-32/h3-6,11,16-17,19-20H,7-10,12-15H2,1-2H3,(H,27,28,29).
What are the key properties of N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide?
N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 121265985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).