N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine

C21H30N6O — CID 3193661

IUPACN-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C21H30N6O/c1-6-21(4,5)27-20(23-24-25-27)19(16(2)3)26(15-18-10-8-12-28-18)14-17-9-7-11-22-13-17/h7-13,16,19H,6,14-15H2,1-5H3
InChIKeyAQSMOLBRFVIEJO-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.21
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine

N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 3193661) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID3193661
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C21H30N6O/c1-6-21(4,5)27-20(23-24-25-27)19(16(2)3)26(15-18-10-8-12-28-18)14-17-9-7-11-22-13-17/h7-13,16,19H,6,14-15H2,1-5H3
InChIKeyAQSMOLBRFVIEJO-UHFFFAOYSA-N
XLogP4.21
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-1-phenylethanone
CID 1242286
2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 1154984
3-[4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
CID 5389585
2-Furan-2-yl-5-(4-pyridin-4-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 10474725
2-Furan-2-yl-5-(4-pyridin-3-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11176361
2-Furan-2-yl-5-[4-(2-methyl-pyridin-3-ylmethyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11326769
5-[4-(2,4-Dimethyl-pyridin-3-ylmethyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11486549
US8927738, 2-[2-(2-Furan-2-yl-1-methyl-1H-imidazol-4-yl)-ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 71059474
3-[5-Furan-2-yl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-pyridine
CID 646468
[(4-Chloro-phenyl)-(1-cyclohexyl-1H-tetrazol-5-yl)-methyl]-furan-2-ylmethyl-pyridin-3-ylmethyl-amine
CID 647459
{4-[(1-tert-Butyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 651632
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(furan-2-ylmethyl-pyridin-3-ylmethyl-amino)-methyl]-6-methyl-1H-quinolin-2-one
CID 652016

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine (CID 3193661) is N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine is CCC(C)(C)n1nnnc1C(C(C)C)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is AQSMOLBRFVIEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-6-21(4,5)27-20(23-24-25-27)19(16(2)3)26(15-18-10-8-12-28-18)14-17-9-7-11-22-13-17/h7-13,16,19H,6,14-15H2,1-5H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine?
N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 382.51 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 3193661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).