N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide

C22H26N4O4 — CID 134604371

IUPACN-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
SMILESCCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(C)nc3)noc2C)nc1
InChIInChI=1S/C22H26N4O4/c1-4-5-18(12-27)25-22(28)17-8-9-20(24-11-17)29-13-19-15(3)30-26-21(19)16-7-6-14(2)23-10-16/h6-11,18,27H,4-5,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1
InChIKeyQMARBOVOPHNZOR-SFHVURJKSA-N
MW410.47 g/mol
LogP3.22
Rot. Bonds9

About N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide

N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide (PubChem CID 134604371) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
PubChem CID134604371
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
SMILESCCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(C)nc3)noc2C)nc1
InChIInChI=1S/C22H26N4O4/c1-4-5-18(12-27)25-22(28)17-8-9-20(24-11-17)29-13-19-15(3)30-26-21(19)16-7-6-14(2)23-10-16/h6-11,18,27H,4-5,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1
InChIKeyQMARBOVOPHNZOR-SFHVURJKSA-N
XLogP3.22
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide (CID 134604371) is N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide is CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(C)nc3)noc2C)nc1.
What is the InChIKey of N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The InChIKey is QMARBOVOPHNZOR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-4-5-18(12-27)25-22(28)17-8-9-20(24-11-17)29-13-19-15(3)30-26-21(19)16-7-6-14(2)23-10-16/h6-11,18,27H,4-5,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypentan-2-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 134604371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).