N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide

C22H23N5O3S — CID 124951336

IUPACN-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)c4scnc4C)CCO3)c2)cn1
InChIInChI=1S/C22H23N5O3S/c1-13-8-16(15-4-5-17(24-10-15)21(28)23-3)9-18(26-13)19-11-27(6-7-30-19)22(29)20-14(2)25-12-31-20/h4-5,8-10,12,19H,6-7,11H2,1-3H3,(H,23,28)/t19-/m0/s1
InChIKeyDHBXQXUMAOMEHP-IBGZPJMESA-N
MW437.53 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide

N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide (PubChem CID 124951336) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
PubChem CID124951336
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)c4scnc4C)CCO3)c2)cn1
InChIInChI=1S/C22H23N5O3S/c1-13-8-16(15-4-5-17(24-10-15)21(28)23-3)9-18(26-13)19-11-27(6-7-30-19)22(29)20-14(2)25-12-31-20/h4-5,8-10,12,19H,6-7,11H2,1-3H3,(H,23,28)/t19-/m0/s1
InChIKeyDHBXQXUMAOMEHP-IBGZPJMESA-N
XLogP2.79
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-[2-methyl-6-[4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 110130769
N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 127251364
N-methyl-6-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847922
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110272030
5-[6-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 127250654
2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168529
[2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251356
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
5-[6-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 125013491
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110091843
5-[6-[(2R)-4-[4-(methoxymethyl)benzoyl]morpholin-2-yl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 124973780

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide (CID 124951336) is N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)c4scnc4C)CCO3)c2)cn1.
What is the InChIKey of N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide?
The InChIKey is DHBXQXUMAOMEHP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-13-8-16(15-4-5-17(24-10-15)21(28)23-3)9-18(26-13)19-11-27(6-7-30-19)22(29)20-14(2)25-12-31-20/h4-5,8-10,12,19H,6-7,11H2,1-3H3,(H,23,28)/t19-/m0/s1.
What are the key properties of N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide?
N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 124951336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).