(2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide

C23H29Cl2N5O3 — CID 67221737

IUPAC(2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide
SMILESCC1(C)CC(CNc2ccc(Cl)c(-c3cc(NC(=O)[C@H]4CNCCO4)ncc3Cl)n2)CCO1
InChIInChI=1S/C23H29Cl2N5O3/c1-23(2)10-14(5-7-33-23)11-27-19-4-3-16(24)21(29-19)15-9-20(28-12-17(15)25)30-22(31)18-13-26-6-8-32-18/h3-4,9,12,14,18,26H,5-8,10-11,13H2,1-2H3,(H,27,29)(H,28,30,31)/t14?,18-/m1/s1
InChIKeyRVEQFWMMERZNRJ-XPKAQORNSA-N
MW494.42 g/mol
LogP3.99
Rot. Bonds6

About (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide

(2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide (PubChem CID 67221737) has the molecular formula C23H29Cl2N5O3 and a molecular weight of 494.42 g/mol. Its IUPAC name is (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide
PubChem CID67221737
Molecular FormulaC23H29Cl2N5O3
Molecular Weight494.42 g/mol
Exact Mass493.16
IUPAC Name(2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide
SMILESCC1(C)CC(CNc2ccc(Cl)c(-c3cc(NC(=O)[C@H]4CNCCO4)ncc3Cl)n2)CCO1
InChIInChI=1S/C23H29Cl2N5O3/c1-23(2)10-14(5-7-33-23)11-27-19-4-3-16(24)21(29-19)15-9-20(28-12-17(15)25)30-22(31)18-13-26-6-8-32-18/h3-4,9,12,14,18,26H,5-8,10-11,13H2,1-2H3,(H,27,29)(H,28,30,31)/t14?,18-/m1/s1
InChIKeyRVEQFWMMERZNRJ-XPKAQORNSA-N
XLogP3.99
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.42
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-[5-chloro-4-[2-chloro-5-[(2,2-dimethyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]morpholine-2-carboxamide
CID 77401597
(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 (3S)-3-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67043652
N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 50991962
(2R)-3-[[4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 66937185
N-[5-chloro-4-[3-fluoro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407659
5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine
CID 58284620
4-N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906393
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
N-[5-chloro-4-[6-[[(2R,6S)-2,6-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67221380
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-(5-fluoro-2-pyridinyl)morpholine-2-carboxamide
CID 65480472

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide (CID 67221737) is (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide is CC1(C)CC(CNc2ccc(Cl)c(-c3cc(NC(=O)[C@H]4CNCCO4)ncc3Cl)n2)CCO1.
What is the InChIKey of (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide?
The InChIKey is RVEQFWMMERZNRJ-XPKAQORNSA-N. The full InChI is InChI=1S/C23H29Cl2N5O3/c1-23(2)10-14(5-7-33-23)11-27-19-4-3-16(24)21(29-19)15-9-20(28-12-17(15)25)30-22(31)18-13-26-6-8-32-18/h3-4,9,12,14,18,26H,5-8,10-11,13H2,1-2H3,(H,27,29)(H,28,30,31)/t14?,18-/m1/s1.
What are the key properties of (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide?
(2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide has a molecular weight of 494.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide is sourced from PubChem (CID 67221737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).