N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide

C17H17N7O2 — CID 47076373

IUPACN-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(CCNC(=O)c1ccc(-n2cnnn2)cc1)NCc1cccnc1
InChIInChI=1S/C17H17N7O2/c25-16(20-11-13-2-1-8-18-10-13)7-9-19-17(26)14-3-5-15(6-4-14)24-12-21-22-23-24/h1-6,8,10,12H,7,9,11H2,(H,19,26)(H,20,25)
InChIKeyVSBSCZIIWFVARD-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.49
Rot. Bonds7

About N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide

N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 47076373) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide
PubChem CID47076373
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(CCNC(=O)c1ccc(-n2cnnn2)cc1)NCc1cccnc1
InChIInChI=1S/C17H17N7O2/c25-16(20-11-13-2-1-8-18-10-13)7-9-19-17(26)14-3-5-15(6-4-14)24-12-21-22-23-24/h1-6,8,10,12H,7,9,11H2,(H,19,26)(H,20,25)
InChIKeyVSBSCZIIWFVARD-UHFFFAOYSA-N
XLogP0.49
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
4-[(1-amino-2-chloroethylidene)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 169367040
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 86980548

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide (CID 47076373) is N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide is O=C(CCNC(=O)c1ccc(-n2cnnn2)cc1)NCc1cccnc1.
What is the InChIKey of N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is VSBSCZIIWFVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c25-16(20-11-13-2-1-8-18-10-13)7-9-19-17(26)14-3-5-15(6-4-14)24-12-21-22-23-24/h1-6,8,10,12H,7,9,11H2,(H,19,26)(H,20,25).
What are the key properties of N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide?
N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 351.37 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 47076373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).