3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide

C17H19ClN2O2 — CID 91643727

IUPAC3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)c1ccncc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-5-4-6-12(15)10-20-16(21)13-8-9-19-11-14(13)18/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeyVCHSJBHZNXRIMP-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.84
Rot. Bonds4

About 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide

3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 91643727) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
PubChem CID91643727
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)c1ccncc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-5-4-6-12(15)10-20-16(21)13-8-9-19-11-14(13)18/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeyVCHSJBHZNXRIMP-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
CID 110444354
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105067967
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
3-hydrazinyl-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 105071540
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide (CID 91643727) is 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide is CC(C)(C)Oc1ccccc1CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is VCHSJBHZNXRIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-5-4-6-12(15)10-20-16(21)13-8-9-19-11-14(13)18/h4-9,11H,10H2,1-3H3,(H,20,21).
What are the key properties of 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide?
3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 91643727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).