N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide

C24H30Cl2N4O3 — CID 77401597

IUPACN-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide
SMILESCC1(C)CC(CNc2ccc(Cl)c(-c3cc(NC(=O)C4CNCCO4)ncc3Cl)c2)CCO1
InChIInChI=1S/C24H30Cl2N4O3/c1-24(2)11-15(5-7-33-24)12-28-16-3-4-19(25)17(9-16)18-10-22(29-13-20(18)26)30-23(31)21-14-27-6-8-32-21/h3-4,9-10,13,15,21,27-28H,5-8,11-12,14H2,1-2H3,(H,29,30,31)
InChIKeyZALJRWSQHVCVFE-UHFFFAOYSA-N
MW493.44 g/mol
LogP4.60
Rot. Bonds6

About N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide

N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide (PubChem CID 77401597) has the molecular formula C24H30Cl2N4O3 and a molecular weight of 493.44 g/mol. Its IUPAC name is N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide
PubChem CID77401597
Molecular FormulaC24H30Cl2N4O3
Molecular Weight493.44 g/mol
Exact Mass492.17
IUPAC NameN-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide
SMILESCC1(C)CC(CNc2ccc(Cl)c(-c3cc(NC(=O)C4CNCCO4)ncc3Cl)c2)CCO1
InChIInChI=1S/C24H30Cl2N4O3/c1-24(2)11-15(5-7-33-24)12-28-16-3-4-19(25)17(9-16)18-10-22(29-13-20(18)26)30-23(31)21-14-27-6-8-32-21/h3-4,9-10,13,15,21,27-28H,5-8,11-12,14H2,1-2H3,(H,29,30,31)
InChIKeyZALJRWSQHVCVFE-UHFFFAOYSA-N
XLogP4.60
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.44
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide
CID 67221737
N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 50991962
(3R,5S)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]-5-(methoxymethyl)pyrrolidine-3-carboxamide
CID 50991132
methyl 3-[[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 77401600
methyl (3S)-3-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67043652
2-[5-chloro-4-[3-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]phenyl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone
CID 146866515
N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119711589
N-(1,2-oxazol-3-yl)morpholine-2-carboxamide
CID 62903772
N-[6-[4-[[2-[[4-[(2,2-dimethyloxan-4-yl)methylamino]-6-[6-(pyrrolidine-3-carbonylamino)pyrimidin-4-yl]-2-pyridinyl]methyl]-2-methyloxan-4-yl]methylamino]-2-pyridinyl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 123593204
5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine
CID 58284620
N-[5-chloro-6-[5-[(2,2-dimethyloxan-4-yl)methylamino]-1-(methylideneamino)penta-1,3-dienyl]-2-methylcyclohepta-1,4,6-trien-1-yl]morpholine-2-carboxamide
CID 123945610
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide?
The IUPAC name of N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide (CID 77401597) is N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide?
The canonical SMILES for N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide is CC1(C)CC(CNc2ccc(Cl)c(-c3cc(NC(=O)C4CNCCO4)ncc3Cl)c2)CCO1.
What is the InChIKey of N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide?
The InChIKey is ZALJRWSQHVCVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O3/c1-24(2)11-15(5-7-33-24)12-28-16-3-4-19(25)17(9-16)18-10-22(29-13-20(18)26)30-23(31)21-14-27-6-8-32-21/h3-4,9-10,13,15,21,27-28H,5-8,11-12,14H2,1-2H3,(H,29,30,31).
What are the key properties of N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide?
N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide has a molecular weight of 493.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide is sourced from PubChem (CID 77401597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).