N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide

C20H25N3O3 — CID 132971950

IUPACN,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)[nH]c(=O)c1
InChIInChI=1S/C20H25N3O3/c1-14-11-16(21-18(24)12-14)20(25)23(3)13-17-19(22(2)9-10-26-17)15-7-5-4-6-8-15/h4-8,11-12,17,19H,9-10,13H2,1-3H3,(H,21,24)/t17-,19-/m0/s1
InChIKeyYPSIOTVLBSYIIK-HKUYNNGSSA-N
MW355.44 g/mol
LogP1.83
Rot. Bonds4

About N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide

N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 132971950) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID132971950
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)[nH]c(=O)c1
InChIInChI=1S/C20H25N3O3/c1-14-11-16(21-18(24)12-14)20(25)23(3)13-17-19(22(2)9-10-26-17)15-7-5-4-6-8-15/h4-8,11-12,17,19H,9-10,13H2,1-3H3,(H,21,24)/t17-,19-/m0/s1
InChIKeyYPSIOTVLBSYIIK-HKUYNNGSSA-N
XLogP1.83
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide with MolForge

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Related Compounds

N,2,4-trimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 128988754
6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid
CID 122057321
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 128986917
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 128983342
N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 128980841
6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 155507255
3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 155494431
6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155508906
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 155502029
4-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 155505387
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 155492694

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 132971950) is N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)[nH]c(=O)c1.
What is the InChIKey of N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is YPSIOTVLBSYIIK-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-11-16(21-18(24)12-14)20(25)23(3)13-17-19(22(2)9-10-26-17)15-7-5-4-6-8-15/h4-8,11-12,17,19H,9-10,13H2,1-3H3,(H,21,24)/t17-,19-/m0/s1.
What are the key properties of N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 132971950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).