3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide

C18H20ClN3O2 — CID 71861546

IUPAC3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(CNc2ccncc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-16-12-20-7-6-17(16)21-10-13-3-1-4-14(9-13)18(23)22-11-15-5-2-8-24-15/h1,3-4,6-7,9,12,15H,2,5,8,10-11H2,(H,20,21)(H,22,23)
InChIKeyMDMXHZHCDJIZDP-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.26
Rot. Bonds6

About 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide

3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 71861546) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID71861546
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(CNc2ccncc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-16-12-20-7-6-17(16)21-10-13-3-1-4-14(9-13)18(23)22-11-15-5-2-8-24-15/h1,3-4,6-7,9,12,15H,2,5,8,10-11H2,(H,20,21)(H,22,23)
InChIKeyMDMXHZHCDJIZDP-UHFFFAOYSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 75382929
3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94816644
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94816645
3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109206754
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 71861546) is 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(CNc2ccncc2Cl)c1.
What is the InChIKey of 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is MDMXHZHCDJIZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-16-12-20-7-6-17(16)21-10-13-3-1-4-14(9-13)18(23)22-11-15-5-2-8-24-15/h1,3-4,6-7,9,12,15H,2,5,8,10-11H2,(H,20,21)(H,22,23).
What are the key properties of 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide?
3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 345.83 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 71861546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).