N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide

C14H18N6O — CID 71989611

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCc2nnnn2C2CC2)c1
InChIInChI=1S/C14H18N6O/c1-19(2)12-5-3-4-10(8-12)14(21)15-9-13-16-17-18-20(13)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,21)
InChIKeyMWGOXVVJPMCMKT-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.00
Rot. Bonds5

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide

N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide (PubChem CID 71989611) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide
PubChem CID71989611
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCc2nnnn2C2CC2)c1
InChIInChI=1S/C14H18N6O/c1-19(2)12-5-3-4-10(8-12)14(21)15-9-13-16-17-18-20(13)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,21)
InChIKeyMWGOXVVJPMCMKT-UHFFFAOYSA-N
XLogP1.00
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 30295463
N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide
CID 167886841
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
3-(dimethylamino)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110742450
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-(dimethylamino)benzamide
CID 114317430

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide (CID 71989611) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCc2nnnn2C2CC2)c1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide?
The InChIKey is MWGOXVVJPMCMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-19(2)12-5-3-4-10(8-12)14(21)15-9-13-16-17-18-20(13)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,21).
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide has a molecular weight of 286.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 71989611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).