N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C22H26N6O2 — CID 165129879

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1cnc(N2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)c1cccc(-c2cnn(C)c2)n1
InChIInChI=1S/C22H26N6O2/c1-14-9-23-21(28-11-15(2)30-16(3)12-28)8-20(14)26-22(29)19-7-5-6-18(25-19)17-10-24-27(4)13-17/h5-10,13,15-16H,11-12H2,1-4H3,(H,23,26,29)/t15-,16+
InChIKeyMDHMXWJWNZSMEC-IYBDPMFKSA-N
MW406.49 g/mol
LogP3.05
Rot. Bonds4

About N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 165129879) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID165129879
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1cnc(N2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)c1cccc(-c2cnn(C)c2)n1
InChIInChI=1S/C22H26N6O2/c1-14-9-23-21(28-11-15(2)30-16(3)12-28)8-20(14)26-22(29)19-7-5-6-18(25-19)17-10-24-27(4)13-17/h5-10,13,15-16H,11-12H2,1-4H3,(H,23,26,29)/t15-,16+
InChIKeyMDHMXWJWNZSMEC-IYBDPMFKSA-N
XLogP3.05
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 165129879) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cc1cnc(N2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)c1cccc(-c2cnn(C)c2)n1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is MDHMXWJWNZSMEC-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14-9-23-21(28-11-15(2)30-16(3)12-28)8-20(14)26-22(29)19-7-5-6-18(25-19)17-10-24-27(4)13-17/h5-10,13,15-16H,11-12H2,1-4H3,(H,23,26,29)/t15-,16+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165129879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).