4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C19H25N3O3 — CID 97067444

IUPAC4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]cc1C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1
InChIInChI=1S/C19H25N3O3/c1-12(2)7-14(4)25-18-9-15(5-6-20-18)10-22-19(24)16-11-21-17(23)8-13(16)3/h5-6,8-9,11-12,14H,7,10H2,1-4H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyREVGQBFYKCPSBT-AWEZNQCLSA-N
MW343.43 g/mol
LogP2.82
Rot. Bonds7

About 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 97067444) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID97067444
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]cc1C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1
InChIInChI=1S/C19H25N3O3/c1-12(2)7-14(4)25-18-9-15(5-6-20-18)10-22-19(24)16-11-21-17(23)8-13(16)3/h5-6,8-9,11-12,14H,7,10H2,1-4H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyREVGQBFYKCPSBT-AWEZNQCLSA-N
XLogP2.82
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86949292
N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 97338998
2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine
CID 111763503
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111768824
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47063435
4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 120831839
3-[[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methylamino]methyl]benzonitrile
CID 119128702
2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111760992
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154737151
N-[(2-ethoxy-4-pyridinyl)methyl]-9-oxofluorene-2-carboxamide
CID 55723662
2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 18167359
3-[(2-butan-2-yloxy-4-pyridinyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122009244

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 97067444) is 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)[nH]cc1C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1.
What is the InChIKey of 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is REVGQBFYKCPSBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)7-14(4)25-18-9-15(5-6-20-18)10-22-19(24)16-11-21-17(23)8-13(16)3/h5-6,8-9,11-12,14H,7,10H2,1-4H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97067444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).