N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

C16H16N6O2 — CID 154635330

IUPACN-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C16H16N6O2/c1-11(2)24-15-4-3-13(9-14(15)22-10-18-20-21-22)19-16(23)12-5-7-17-8-6-12/h3-11H,1-2H3,(H,19,23)
InChIKeyYSRXWSPMURBBGX-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.10
Rot. Bonds5

About N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 154635330) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID154635330
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C16H16N6O2/c1-11(2)24-15-4-3-13(9-14(15)22-10-18-20-21-22)19-16(23)12-5-7-17-8-6-12/h3-11H,1-2H3,(H,19,23)
InChIKeyYSRXWSPMURBBGX-UHFFFAOYSA-N
XLogP2.10
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635315
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260669
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798049
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 167966168
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637

Frequently Asked Questions

What is the IUPAC name of N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 154635330) is N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is CC(C)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1.
What is the InChIKey of N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is YSRXWSPMURBBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-11(2)24-15-4-3-13(9-14(15)22-10-18-20-21-22)19-16(23)12-5-7-17-8-6-12/h3-11H,1-2H3,(H,19,23).
What are the key properties of N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 154635330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).