N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine

C24H26N6O — CID 648730

IUPACN-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESc1ccc(CN(Cc2ccco2)C(c2ccncc2)c2nnnn2C2CCCC2)cc1
InChIInChI=1S/C24H26N6O/c1-2-7-19(8-3-1)17-29(18-22-11-6-16-31-22)23(20-12-14-25-15-13-20)24-26-27-28-30(24)21-9-4-5-10-21/h1-3,6-8,11-16,21,23H,4-5,9-10,17-18H2
InChIKeyMVXUCLVJBZKIPM-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.57
Rot. Bonds8

About N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine

N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine (PubChem CID 648730) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine
PubChem CID648730
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESc1ccc(CN(Cc2ccco2)C(c2ccncc2)c2nnnn2C2CCCC2)cc1
InChIInChI=1S/C24H26N6O/c1-2-7-19(8-3-1)17-29(18-22-11-6-16-31-22)23(20-12-14-25-15-13-20)24-26-27-28-30(24)21-9-4-5-10-21/h1-3,6-8,11-16,21,23H,4-5,9-10,17-18H2
InChIKeyMVXUCLVJBZKIPM-UHFFFAOYSA-N
XLogP4.57
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine?
The IUPAC name of N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine (CID 648730) is N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine is c1ccc(CN(Cc2ccco2)C(c2ccncc2)c2nnnn2C2CCCC2)cc1.
What is the InChIKey of N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine?
The InChIKey is MVXUCLVJBZKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-2-7-19(8-3-1)17-29(18-22-11-6-16-31-22)23(20-12-14-25-15-13-20)24-26-27-28-30(24)21-9-4-5-10-21/h1-3,6-8,11-16,21,23H,4-5,9-10,17-18H2.
What are the key properties of N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine?
N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine has a molecular weight of 414.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 648730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).