N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide

C17H22N6O — CID 133264805

IUPACN-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(C2NNNN2)c1)C(=O)CCc1cccnc1
InChIInChI=1S/C17H22N6O/c1-23(16(24)8-7-13-5-3-9-18-11-13)12-14-4-2-6-15(10-14)17-19-21-22-20-17/h2-6,9-11,17,19-22H,7-8,12H2,1H3
InChIKeyUXXSTJBFLSFUND-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.79
Rot. Bonds6

About N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide

N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide (PubChem CID 133264805) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide
PubChem CID133264805
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(C2NNNN2)c1)C(=O)CCc1cccnc1
InChIInChI=1S/C17H22N6O/c1-23(16(24)8-7-13-5-3-9-18-11-13)12-14-4-2-6-15(10-14)17-19-21-22-20-17/h2-6,9-11,17,19-22H,7-8,12H2,1H3
InChIKeyUXXSTJBFLSFUND-UHFFFAOYSA-N
XLogP0.79
TPSA81.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 134003798
N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
CID 90650169
3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86827651
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
CID 109020395
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 86912821

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide?
The IUPAC name of N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide (CID 133264805) is N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide is CN(Cc1cccc(C2NNNN2)c1)C(=O)CCc1cccnc1.
What is the InChIKey of N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide?
The InChIKey is UXXSTJBFLSFUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-23(16(24)8-7-13-5-3-9-18-11-13)12-14-4-2-6-15(10-14)17-19-21-22-20-17/h2-6,9-11,17,19-22H,7-8,12H2,1H3.
What are the key properties of N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide?
N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 0.79, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 133264805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).