3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide

C18H19ClN6O2 — CID 69004377

IUPAC3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
SMILESCCc1nnnn1-c1cc(C(=O)NC(C)CO)cc(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C18H19ClN6O2/c1-3-17-22-23-24-25(17)15-7-12(16-5-4-14(19)9-20-16)6-13(8-15)18(27)21-11(2)10-26/h4-9,11,26H,3,10H2,1-2H3,(H,21,27)
InChIKeyBRBZRQIHCYUSAP-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.05
Rot. Bonds6

About 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide

3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 69004377) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID69004377
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
SMILESCCc1nnnn1-c1cc(C(=O)NC(C)CO)cc(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C18H19ClN6O2/c1-3-17-22-23-24-25(17)15-7-12(16-5-4-14(19)9-20-16)6-13(8-15)18(27)21-11(2)10-26/h4-9,11,26H,3,10H2,1-2H3,(H,21,27)
InChIKeyBRBZRQIHCYUSAP-UHFFFAOYSA-N
XLogP2.05
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide (CID 69004377) is 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide is CCc1nnnn1-c1cc(C(=O)NC(C)CO)cc(-c2ccc(Cl)cn2)c1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is BRBZRQIHCYUSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-3-17-22-23-24-25(17)15-7-12(16-5-4-14(19)9-20-16)6-13(8-15)18(27)21-11(2)10-26/h4-9,11,26H,3,10H2,1-2H3,(H,21,27).
What are the key properties of 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide?
3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 386.84 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 69004377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).