N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide

C18H20N8O — CID 122352474

IUPACN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cc(CNC(=O)c2cccc(-n3cnnn3)c2)nc(N2CCCC2)n1
InChIInChI=1S/C18H20N8O/c1-13-9-15(22-18(21-13)25-7-2-3-8-25)11-19-17(27)14-5-4-6-16(10-14)26-12-20-23-24-26/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,19,27)
InChIKeyGSIHKLPARBLSDQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.29
Rot. Bonds5

About N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 122352474) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID122352474
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cc(CNC(=O)c2cccc(-n3cnnn3)c2)nc(N2CCCC2)n1
InChIInChI=1S/C18H20N8O/c1-13-9-15(22-18(21-13)25-7-2-3-8-25)11-19-17(27)14-5-4-6-16(10-14)26-12-20-23-24-26/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,19,27)
InChIKeyGSIHKLPARBLSDQ-UHFFFAOYSA-N
XLogP1.29
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352419
N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122298661
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 90569406
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide
CID 166201009
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide (CID 122352474) is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide is Cc1cc(CNC(=O)c2cccc(-n3cnnn3)c2)nc(N2CCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is GSIHKLPARBLSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-13-9-15(22-18(21-13)25-7-2-3-8-25)11-19-17(27)14-5-4-6-16(10-14)26-12-20-23-24-26/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,19,27).
What are the key properties of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide?
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 364.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 122352474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).