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

C23H26N6O — CID 3229318

IUPACN-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESCC(C)(C)n1nnnc1C(c1ccncc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H26N6O/c1-23(2,3)29-22(25-26-27-29)21(19-11-13-24-14-12-19)28(17-20-10-7-15-30-20)16-18-8-5-4-6-9-18/h4-15,21H,16-17H2,1-3H3
InChIKeyZORGILHILZVDEA-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.21
Rot. Bonds7

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

N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine (PubChem CID 3229318) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine
PubChem CID3229318
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESCC(C)(C)n1nnnc1C(c1ccncc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H26N6O/c1-23(2,3)29-22(25-26-27-29)21(19-11-13-24-14-12-19)28(17-20-10-7-15-30-20)16-18-8-5-4-6-9-18/h4-15,21H,16-17H2,1-3H3
InChIKeyZORGILHILZVDEA-UHFFFAOYSA-N
XLogP4.21
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.21
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-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine?
The IUPAC name of N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine (CID 3229318) is N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine is CC(C)(C)n1nnnc1C(c1ccncc1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine?
The InChIKey is ZORGILHILZVDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-23(2,3)29-22(25-26-27-29)21(19-11-13-24-14-12-19)28(17-20-10-7-15-30-20)16-18-8-5-4-6-9-18/h4-15,21H,16-17H2,1-3H3.
What are the key properties of N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine?
N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine has a molecular weight of 402.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 3229318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).