3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H24N6O2 — CID 119812407

IUPAC3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1-n1nnnc1C1CC1
InChIInChI=1S/C19H24N6O2/c1-27-15-7-6-13(9-14(15)25-18(10-2-3-10)22-23-24-25)21-19(26)16-11-4-5-12(8-11)17(16)20/h6-7,9-12,16-17H,2-5,8,20H2,1H3,(H,21,26)
InChIKeyUBITUBVFJQSVPA-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.86
Rot. Bonds5

About 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119812407) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119812407
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1-n1nnnc1C1CC1
InChIInChI=1S/C19H24N6O2/c1-27-15-7-6-13(9-14(15)25-18(10-2-3-10)22-23-24-25)21-19(26)16-11-4-5-12(8-11)17(16)20/h6-7,9-12,16-17H,2-5,8,20H2,1H3,(H,21,26)
InChIKeyUBITUBVFJQSVPA-UHFFFAOYSA-N
XLogP1.86
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766640
4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide
CID 119340060
5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide
CID 120637506
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 71858611
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119724563
3-(2-aminophenyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]propanamide;hydrochloride
CID 120611594
3-[[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086478
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766638
3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119697295
trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95777482
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119812407) is 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide is COc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1-n1nnnc1C1CC1.
What is the InChIKey of 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UBITUBVFJQSVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-27-15-7-6-13(9-14(15)25-18(10-2-3-10)22-23-24-25)21-19(26)16-11-4-5-12(8-11)17(16)20/h6-7,9-12,16-17H,2-5,8,20H2,1H3,(H,21,26).
What are the key properties of 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119812407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).